SCHEMBL3772574

SCHEMBL3772574

Cc1c(-c2ccccc2Cl)nnn1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.39
DCTPP1 Q9H773 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 3/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.33
CACNA2D1 P54289 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 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
SCHEMBL12314563 0.86 SMN1; SMN2 (0.39) HSD11B1DCTPP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL12314560 0.81 SMN1; SMN2 (0.50) HSD11B1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14551969 0.75 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL1232285 0.67 SMN1; SMN2 (0.50) HSD11B1SMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL3781020 0.67 SMN1; SMN2 (0.50) HSD11B1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5095927 0.67 HSD11B1 (0.67) HSD11B1SMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL27934023 0.65 MAPK1 (0.44) HSD11B1SMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL12324672 0.64 HSD11B1 (0.33) HSD11B1SMN1; SMN2TSHRMAPK1
SCHEMBL14481601 0.63 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL14481387 0.63 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2ALDH1A1NPSR1MEN1

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 HSD11B1 1/4885DCTPP1 2355/4885SMN1; SMN2 2961/4885

“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.