SCHEMBL6136841

SCHEMBL6136841

COc1cc2c(cc1Br)CCCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAPT P10636 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PDE4B Q07343 1/20 0.39
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.38
PTPN1 P18031 1/20 0.38
KIF11 P52732 1/20 0.38
CCNB2 O95067 1/20 0.38

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
SCHEMBL3309794 0.91 CYP11B1 (0.55) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL7429093 0.87 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL30340281 0.87 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL31335802 0.83 AHR (0.49) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL21468447 0.82 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL12481477 0.77 CHEK1 (0.42) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL16339494 0.77 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL6605984 0.77 ALDH1A1 (0.45) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL31040248 0.76 AHR (0.49) HTR2AHTR2CHTR2BGRIN2DGRIN3B
SCHEMBL18122551 0.76 HTR2C (0.56) HTR2AHTR2CHTR2BCYP19A1MAPT

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-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-03-26 US disclosed
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 US disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO disclosed
EP-1229913-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2002-08-14 EP disclosed
WO-2001035964-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2001-05-25 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 (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-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK1, JAK3 HTR2A 2400/4885HTR2C 799/4885HTR2B 3219/4885
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX HTR2A 1085/4885HTR2C 596/4885HTR2B 490/4885

“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.