SCHEMBL2636155

SCHEMBL2636155

Cc1ccnc(C2CCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
HTR3A P46098 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL15587840 0.90 MAP3K12 (0.43) BRD4HTR2A
SCHEMBL25719734 0.90 HTR2C (0.44) HTR2CBRD4ATAD2HTR1ASLC6A2
SCHEMBL1740414 0.86 HRH3 (0.38) HTR2CBRD4ATAD2HTR3AHTR2A
SCHEMBL28063327 0.80 HRH3 (0.42) HTR3A
SCHEMBL29940378 0.80 MAP4K4 (0.41)
SCHEMBL11996694 0.80 MAP4K4 (0.41)
SCHEMBL2636703 0.80 IDO1 (0.39) HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL2637316 0.79 TLR9 (0.39) HTR2CHTR3AHTR2A
SCHEMBL20577260 0.79 TLR9 (0.39) HTR2CHTR3AHTR2A
SCHEMBL21573257 0.77 MAP4K4 (0.45)

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 HTR2C 4035/4885BRD4 3574/4885ATAD2 4022/4885

“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.