SCHEMBL2636396

SCHEMBL2636396

Cn1c(C2CCN(C(=O)O)C2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.66
PROKR1 Q8TCW9 1/20 0.56
HSD11B1 P28845 1/20 0.56
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
HRH1 P35367 2/20 0.47
KCNH2 Q12809 2/20 0.47
CYP2D6 P10635 1/20 0.47
PDE10A Q9Y233 2/20 0.47
CHRM1 P11229 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6518519 0.83 HSD11B1 (0.58) HTR2BPROKR1HSD11B1APOBEC3AAPOBEC3G
SCHEMBL3779989 0.78 HTR2B (0.61) HTR2BPROKR1HSD11B1
SCHEMBL12902085 0.78 HTR2B (0.60) HTR2BTAAR1HRH1PDE10AAPOBEC3A
SCHEMBL12791633 0.77 TAAR1 (0.61) HTR2BPROKR1USP2POLBTAAR1
SCHEMBL6479330 0.77 TAAR1 (0.61) HTR2BPROKR1USP2POLBTAAR1
SCHEMBL5851500 0.77 TAAR1 (0.60) HTR2BTAAR1PDE10AAPOBEC3AAPOBEC3G
SCHEMBL739857 0.77 HRH1 (0.57) USP2POLBHRH1KCNH2CYP2D6
SCHEMBL20070096 0.76 HTR2B (0.58) HTR2BTAAR1HRH1PDE10AAPOBEC3A
SCHEMBL13196912 0.76 TLR7 (0.62) HTR2BUSP2POLBTAAR1PDE10A
SCHEMBL14842150 0.75 HTR2B (0.49) HTR2BPROKR1HSD11B1PDE10ARAB9A

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-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
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 HTR2B 3532/4885PROKR1 3971/4885HSD11B1 1/4885

“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.