SCHEMBL3781020

SCHEMBL3781020

CCc1c(-c2ccccc2)nnn1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD11B1 P28845 2/20 0.40
PTGES O14684 1/20 0.39
CNR2 P34972 5/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.34
AKT1 P31749 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
SCHEMBL12314560 0.82 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL1232285 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL14551971 0.70 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL14551969 0.70 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL12314563 0.69 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMAPK1ALDH1A1HSD11B1
SCHEMBL2898127 0.68 HSD11B1 (0.52) SMN1; SMN2TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL3772574 0.67 HSD11B1 (0.39) SMN1; SMN2TSHRMAPK1ALDH1A1HPGD
SCHEMBL27934023 0.66 MAPK1 (0.44) SMN1; SMN2TSHRMAPK1ALDH1A1ATM
SCHEMBL5051902 0.65 TSHR (0.54) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL3359896 0.64 SMN1; SMN2 (0.40) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263630-B2 1,2,3-triazoles as 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263630-B2 1,2,3-triazoles as 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263630-B2 1,2,3-triazoles as 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20100324104-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
US-20100324104-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
US-20100324104-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
WO-2009102761-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102761-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 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 (1 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-20100324104-A1 1,2,3-TRIAZOLES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 SMN1; SMN2 2961/4885TSHR 2277/4885MAPK1 1114/4885

“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.