SCHEMBL12596337

SCHEMBL12596337

CC1(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
OPRL1 P41146 1/20 0.49
TSHR P16473 5/20 0.48
CYP2D6 P10635 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.47
MC4R P32245 1/20 0.47
NR3C1 P04150 1/20 0.47

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
Ammonia Solution, Strong SCHEMBL4506269 0.98 CYP3A4 (0.50) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL31230952 0.86 GAA (0.61) CYP3A4HSD17B10GAASIGMAR1TSHR
SCHEMBL16684766 0.85 OPRL1 (0.51) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL12465471 0.85 CYP3A4 (0.50) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL3277953 0.85 CYP3A4 (0.50) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL11364644 0.81 MEN1 (0.54) CYP3A4HSD17B10GAASIGMAR1OPRL1
Ammonia Solution, Strong SCHEMBL4560455 0.81 CYP2D6 (0.47) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL2262610 0.81 CYP3A4 (0.56) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL4817148 0.81 CYP3A4 (0.56) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL28282362 0.79 CYP2D6 (0.51) CYP3A4GAAOPRL1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US 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 (2 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 CYP3A4 98/4885HSD17B10 26/4885GAA 1228/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 CYP3A4 54/4885HSD17B10 30/4885GAA 1540/4885

“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.