SCHEMBL239876

SCHEMBL239876

COC(=O)c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.53
EPHX2 P34913 3/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
FAAH O00519 1/20 0.50
PARP10 Q53GL7 1/20 0.47
MAPT P10636 1/20 0.47
CHEK2 O96017 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
STS P08842 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL2432586 0.91 CA1 (0.49) EPHX2CA1CA2FAAHMAPT
SCHEMBL24583554 0.91 CA1 (0.49) EPHX2CA1CA2FAAHMAPT
Hydrochloric Acid SCHEMBL29756745 0.90 CA1 (0.47) EPHX2CA1CA2FAAHMAPT
SCHEMBL16147114 0.89 EPHX2 (0.61) EPHX2CA1CA2FAAHPARP10
SCHEMBL8339652 0.85 PARP10 (0.60) EPHX2CA1CA2FAAHPARP10
SCHEMBL7326433 0.84 PARP10 (0.58) EPHX2CA1CA2FAAHPARP10
SCHEMBL10964232 0.84 HRH1 (0.56) HRH1PARP10MAPTCHEK2HRH3
SCHEMBL15830297 0.84 PARP10 (0.58) EPHX2CA1CA2FAAHPARP10
SCHEMBL13266896 0.84 EPHX2 (0.57) EPHX2CA1CA2FAAHPARP10
SCHEMBL23321242 0.84 HRH1 (0.49) HRH1EPHX2CA1CA2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-18 US disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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 (8 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 HRH1 1434/4885EPHX2 3244/4885CA1 1344/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C HRH1 3100/4885EPHX2 2521/4885CA1 2151/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 HRH1 1434/4885EPHX2 3244/4885CA1 1344/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HRH1 3100/4885EPHX2 2521/4885CA1 2151/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 HRH1 16/4885EPHX2 2510/4885CA1 3182/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 HRH1 1117/4885EPHX2 1369/4885CA1 2984/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 HRH1 1434/4885EPHX2 3244/4885CA1 1344/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 HRH1 923/4885EPHX2 603/4885CA1 1035/4885

“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.