SCHEMBL4152685

SCHEMBL4152685

NCc1ccn(CCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
HTR2A P28223 2/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HMOX1 P09601 1/20 0.37

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
SCHEMBL1680504 0.81 LOXL2 (0.50) LOXL2HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL5601152 0.73 KMT2A (0.50) LOXL2HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL4152681 0.73 PLA2G10 (0.46) HTR2APOLBKMT2ACYP2C19
SCHEMBL1680524 0.71 DRD2 (0.43) CYP2A6POLBKMT2AATMSLC6A3
SCHEMBL9203311 0.71 GSK3A (0.52) SMN1; SMN2POLBKMT2AATMSLC6A3
SCHEMBL20457279 0.70
SCHEMBL922523 0.68 LOXL2 (0.78) LOXL2HTR2ACYP2A6SMN1; SMN2TAAR1
Benzylamine SCHEMBL373 0.67
SCHEMBL19242392 0.67 LOXL2 (1.00) LOXL2HTR2ACYP2A6SMN1; SMN2TAAR1
Benzylamine SCHEMBL1331207 0.67

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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD LOXL2 3565/4885HTR2A 3025/4885CYP2A6 2188/4885

“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.