SCHEMBL3835449

SCHEMBL3835449

O=C1N2Cc3ccccc3CC2CN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
ADORA2A P29274 3/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 1/20 0.38
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CTSD P07339 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL14068013 1.00 SIGMAR1 (0.47) SIGMAR1ADORA2AHSD11B1PARP1RAB9A
SCHEMBL14068055 1.00 SIGMAR1 (0.47) SIGMAR1ADORA2AHSD11B1PARP1RAB9A
SCHEMBL703644 0.84 HSD11B1 (0.46) SIGMAR1HSD11B1
SCHEMBL703645 0.84 HSD11B1 (0.46) SIGMAR1HSD11B1
SCHEMBL18779976 0.73 SIGMAR1 (0.57) SIGMAR1ADORA2APARP1RAB9AALDH1A1
SCHEMBL18779975 0.73 SIGMAR1 (0.57) SIGMAR1ADORA2APARP1RAB9AALDH1A1
SCHEMBL14068042 0.72 NOTUM (0.43) SIGMAR1HSD11B1EPHX2HTR2CHTR2B
SCHEMBL29802801 0.72 KMT2A (0.49) HSD11B1RAB9AALDH1A1EPHX2HTR2A
SCHEMBL20507420 0.72 KMT2A (0.49) HSD11B1RAB9AALDH1A1EPHX2HTR2A
SCHEMBL3835666 0.71 HSD11B1 (0.43) SIGMAR1ADORA2AHSD11B1EPHX2HTR2A

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-8563591-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-22 US claimed
EP-1786774-B1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-14 EP claimed
US-20080214597-A1 2-Adamantan-2-yl-2,3,3a,4,9,9a-hexahydro-benzo[f]isoindol-1-one; obesity, diabetes, obesity related cardiovascular diseases, dementia, cognition, osteoporosis, stress and glaucoma JANSSEN PHARMACEUTICAL N.V. (BE) 2008-09-04 US claimed
EP-1786774-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-23 EP claimed
WO-2006024628-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 WO claimed
US-10894054-B2 FXR agonist compositions for combination therapy INTERCEPT PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-9630921-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-04-25 US disclosed
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
WO-2016164413-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. (US) 2016-10-13 WO disclosed
US-9422284-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-08-23 US disclosed
US-20160002229-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US disclosed
US-9150512-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2015-10-06 US disclosed
US-20140179732-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 US disclosed
US-8563591-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-22 US disclosed
EP-1786774-B1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-14 EP disclosed
US-20080214597-A1 2-Adamantan-2-yl-2,3,3a,4,9,9a-hexahydro-benzo[f]isoindol-1-one; obesity, diabetes, obesity related cardiovascular diseases, dementia, cognition, osteoporosis, stress and glaucoma JANSSEN PHARMACEUTICAL N.V. (BE) 2008-09-04 US disclosed
EP-1786774-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-23 EP disclosed
WO-2006024628-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 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 (6 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-20160002229-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 SIGMAR1 2693/4885ADORA2A 4754/4885HSD11B1 3/4885
US-10894054-B2 FXR agonist compositions for combination therapy GPR119, FXR1, NR1H4 SIGMAR1 1969/4885ADORA2A 568/4885HSD11B1 241/4885
US-20080214597-A1 2-Adamantan-2-yl-2,3,3a,4,9,9a-hexahydro-benzo[f]isoindol-1-one; obesity, diabetes, obesity related cardiovascular diseases, dementia, cognition, osteoporosis, stress and glaucoma CHRM1, CHRNA7, CHRM5 SIGMAR1 191/4885ADORA2A 2235/4885HSD11B1 136/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 SIGMAR1 2275/4885ADORA2A 697/4885HSD11B1 214/4885
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 SIGMAR1 2693/4885ADORA2A 4754/4885HSD11B1 3/4885
US-20140179732-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 SIGMAR1 2693/4885ADORA2A 4754/4885HSD11B1 3/4885

“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.