SCHEMBL7019778

SCHEMBL7019778

c1cc2c(cn1)NCCCC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
MAPT P10636 2/20 0.41
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHRNA7 P36544 1/20 0.34
ACHE P22303 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10205529 0.98 SIGMAR1 (0.55) SIGMAR1CHRNB2CHRNA4MAPTCYP11B1
SCHEMBL3414893 0.94 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4MAPTKDM4E
SCHEMBL2432002 0.85
SCHEMBL7020285 0.84 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4MAPTCYP11B1
Hydrochloric Acid SCHEMBL16600475 0.83 CHRNB2 (0.55) SIGMAR1CHRNB2CHRNA4MAPTCHRNA7
Hydrochloric Acid SCHEMBL18230043 0.83 CHRNB2 (0.55) SIGMAR1CHRNB2CHRNA4MAPTCHRNA7
Bromide SCHEMBL8686784 0.83 CHRNB2 (0.55) SIGMAR1CHRNB2CHRNA4MAPTCHRNA7
Bromide SCHEMBL8691876 0.83 CHRNB2 (0.55) SIGMAR1CHRNB2CHRNA4MAPTCHRNA7
SCHEMBL987978 0.78 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4MAPTCYP11B1
SCHEMBL29597435 0.78 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4MAPTCYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11001698-B2 Stabilizer composition BASF SE 2021-05-11 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
EP-3245198-B1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS NOVARTIS AG (CH) 2020-03-11 EP disclosed
US-20200048431-A1 STABILIZER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20200048394-A1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 US disclosed
US-10065943-B2 Pyrrolidine derivatives as angiotensin II type 2 antagonists NOVARTIS AG (CH) 2018-09-04 US disclosed
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-12-28 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG SIGMAR1 832/4885CHRNB2 2725/4885CHRNA4 2288/4885
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL SIGMAR1 1003/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL SIGMAR1 1003/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS AGTR2, AGTR1, AVPR2 SIGMAR1 1124/4885CHRNB2 746/4885CHRNA4 1556/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG SIGMAR1 832/4885CHRNB2 2725/4885CHRNA4 2288/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL SIGMAR1 1003/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-10065943-B2 Pyrrolidine derivatives as angiotensin II type 2 antagonists AGTR2, AGTR1, ACE2 SIGMAR1 759/4885CHRNB2 522/4885CHRNA4 1314/4885
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL SIGMAR1 1003/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL SIGMAR1 1003/4885CHRNB2 2785/4885CHRNA4 3379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.