SCHEMBL784682

SCHEMBL784682

CN1C=C2C(=O)N(C3CCC(N(C)C(=O)c4ccc5c(c4)C(NC(=O)CCC4CCCC4)CC5)CC3)CN2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
DRD2 P14416 2/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL785551 0.81 ALDH1A1 (0.39) BRD4ALDH1A1HPGDDRD2HTR1A
SCHEMBL785929 0.80 PDE10A (0.33) BRD4POLB
SCHEMBL784681 0.78 F10 (0.36) BRD4POLBALDH1A1HTTMAPT
SCHEMBL784595 0.76 ALDH1A1 (0.38) POLBALDH1A1ACHEDRD2HTR1A
SCHEMBL784376 0.75 F10 (0.39) POLBALDH1A1ACHEDRD2HTR1A
SCHEMBL785822 0.74 POLB (0.36) POLBALDH1A1HTTACHEDRD2
SCHEMBL784808 0.74 F10 (0.41) POLBHPGDSMN1; SMN2ACHENPC1
SCHEMBL785476 0.74 TAF1 (0.41) POLBALDH1A1ACHEDRD2HTR1A
SCHEMBL784259 0.73 POLB (0.37) POLBALDH1A1SMN1; SMN2ACHENPC1
SCHEMBL785126 0.72 POLB (0.37) POLBSMN1; SMN2NPC1RAB9AHTR1A

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 3 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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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 BRD4 238/4885POLB 3355/4885ALDH1A1 1267/4885

“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.