SCHEMBL5009526

SCHEMBL5009526

Cc1cc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD4 P21917 4/20 0.53
SIGMAR1 Q99720 4/20 0.52
CACNA1G O43497 3/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 4/20 0.44
HTR7 P34969 1/20 0.44
PKM P14618 1/20 0.44
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL4249570 0.94 SIGMAR1 (0.47) DRD2DRD4SIGMAR1CACNA1GALDH1A1
SCHEMBL4255387 0.91 ALDH1A1 (0.59) SIGMAR1CACNA1GALDH1A1LMNAMAPK1
SCHEMBL4251582 0.88 CACNA1G (0.51) DRD2DRD4SIGMAR1CACNA1GALDH1A1
SCHEMBL5009521 0.87 CACNA1G (0.57) DRD2DRD4SIGMAR1CACNA1GALDH1A1
SCHEMBL5011602 0.87 CACNA1G (0.52) DRD2DRD4CACNA1GDRD3
SCHEMBL13994809 0.86 CACNA1G (0.48) DRD2DRD4CACNA1GALDH1A1LMNA
SCHEMBL4250699 0.86 MAPT (0.51) DRD2ALDH1A1HTR1AHTR7DRD3
SCHEMBL4246622 0.85 DRD3 (0.47) DRD2DRD4CACNA1GALDH1A1LMNA
SCHEMBL5011444 0.85 HTR6 (0.50) DRD2DRD4CACNA1GALDH1A1LMNA
SCHEMBL5009537 0.83 MALT1 (0.48) DRD2DRD4CACNA1G

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-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 US claimed
US-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 US disclosed
US-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 US disclosed
US-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist HTR3A, HTR3B, HTR3E DRD2 54/4885DRD4 225/4885SIGMAR1 583/4885

“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.