SCHEMBL839974

SCHEMBL839974

Fc1ccccc1[C@@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.44
CHRM3 P20309 5/20 0.44
CHRM2 P08172 5/20 0.44
CHRM1 P11229 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 3/20 0.41
KDM1B Q8NB78 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL29589462 1.00 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL1051987 1.00 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL30824576 1.00 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL859148 1.00 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL29394965 1.00 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL839730 0.98 CHRM5 (0.43) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL839085 0.98 CHRM5 (0.43) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL1764675 0.94 KDM4E (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL30008129 0.94 KDM4E (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL30812563 0.94 KDM4E (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 US disclosed
CN-115490708-A Sulfonamide macrocyclic derivatives, and preparation method and application thereof 苏州亚盛药业有限公司 2022-12-20 CN disclosed
CN-114945578-A Compounds as CD73 inhibitors 博奥阿迪斯生物科技公司 2022-08-26 CN disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 WO disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
CN-114478520-A Bcl-2 protein apoptosis inducer and application thereof 杭州和正医药有限公司 2022-05-13 CN disclosed
WO-2022089463-A1 BCL-2 PROTEIN APOPTOSIS-INDUCING AGENT AND APPLICATION THEREOF 杭州和正医药有限公司 2022-05-05 WO disclosed
CN-114286824-A CD73 inhibitor 博奥阿迪斯生物科技公司 2022-04-05 CN disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
EP-2331499-A1 COLD MENTHOL RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-06-15 EP disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (4 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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 CHRM5 4783/4885CHRM3 4845/4885CHRM2 4666/4885
US-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 CHRM5 84/4885CHRM3 53/4885CHRM2 55/4885
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E CHRM5 1652/4885CHRM3 1914/4885CHRM2 1836/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 CHRM5 1209/4885CHRM3 1715/4885CHRM2 1444/4885

“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.