SCHEMBL2637532

SCHEMBL2637532

Cn1c(C2CCNC2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
CHRM1 P11229 2/20 0.51
HRH1 P35367 2/20 0.51
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
HTR2B P41595 1/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
PDE10A Q9Y233 2/20 0.44
TSHR P16473 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
SCHEMBL16760326 0.92 TAAR1 (0.63) TAAR1CHRM1HRH1DDB1CRBN
SCHEMBL20134836 0.91 TAAR1 (0.61) TAAR1DDB1CRBNHTR2BAPOBEC3A
Hydrochloric Acid SCHEMBL20137458 0.90 TAAR1 (0.59) TAAR1DDB1CRBNHTR2BAPOBEC3A
Hydrochloric Acid SCHEMBL3432145 0.90 TAAR1 (0.59) TAAR1DDB1CRBNHTR2BAPOBEC3A
SCHEMBL14844615 0.88 TAAR1 (0.56) TAAR1DDB1CRBNHTR2BAPOBEC3A
SCHEMBL5851500 0.82 TAAR1 (0.60) TAAR1DDB1CRBNHTR2BAPOBEC3A
SCHEMBL16128155 0.81 OPRM1 (0.60) TAAR1CHRM1HRH1OPRM1OPRD1
SCHEMBL6479330 0.80 TAAR1 (0.61) TAAR1DDB1CRBNHTR2BAPOBEC3A
SCHEMBL12791633 0.80 TAAR1 (0.61) TAAR1DDB1CRBNHTR2BAPOBEC3A
SCHEMBL13196912 0.78 TLR7 (0.62) TAAR1DDB1CRBNHTR2BAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 TAAR1 4321/4885CHRM1 1618/4885HRH1 1614/4885

“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.