SCHEMBL803660

SCHEMBL803660

Cc1cc(N2CCC(CCN(Br)Cc3ccccc3)CC2)nc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SORD Q00796 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
PIK3CB P42338 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 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
SCHEMBL785340 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL785168 0.73 SORD (0.45) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL792754 0.68 SORD (0.45) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL785081 0.67 SIGMAR1 (0.47) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL16222432 0.67 SMN1; SMN2 (0.60) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL784864 0.66 CCR5 (0.51) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL784769 0.66 HRH3 (0.55) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL12452908 0.66 HRH3 (0.50) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL1730309 0.64 CRHBP (0.44) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL26346156 0.64 MEN1 (0.58) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885KMT2A 2222/4885MEN1 2563/4885

“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.