SCHEMBL6136845

SCHEMBL6136845

c1ccc(C(CN2CCNCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.57
CHRM4 P08173 4/20 0.57
CHRM5 P08912 4/20 0.57
CHRM1 P11229 4/20 0.57
CHRM3 P20309 4/20 0.57
SIGMAR1 Q99720 5/20 0.53
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
LMNA P02545 3/20 0.42
HTR1A P08908 2/20 0.42
CYP2D6 P10635 2/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 2/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL8332593 0.83 SIGMAR1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27980890 0.78 ALDH1A1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10562002 0.76 CHRM3 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9413953 0.73 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10518509 0.72 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6765682 0.72 CHRM2 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13592179 0.70 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14744149 0.70 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL276363 0.69 SIGMAR1 (1.00) CHRM2CHRM1SIGMAR1ALDH1A1LMNA
SCHEMBL6138636 0.69 SIGMAR1 (1.00) CHRM2CHRM1SIGMAR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 US 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 (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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX CHRM2 3617/4885CHRM4 2828/4885CHRM5 3181/4885

“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.