SCHEMBL1509630

SCHEMBL1509630

Nc1ccc(CCN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.83
DRD2 P14416 4/20 0.83
HTR2A P28223 4/20 0.83
HTR7 P34969 4/20 0.83
DRD3 P35462 4/20 0.83
DRD4 P21917 4/20 0.83
POLB P06746 1/20 0.67
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
DRD5 P21918 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2C P28335 2/20 0.61
SIGMAR1 Q99720 1/20 0.57
KCNH2 Q12809 1/20 0.56

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
SCHEMBL27237006 0.91 HTR1A (1.00) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL4700352 0.83 ADRA1D (0.63) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL13711971 0.82 KCNH2 (0.71) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL15961309 0.80 POLB (1.00) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL1307947 0.79 KCNH2 (0.64) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL15961344 0.79 POLB (0.92) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9045494 0.78 DRD2 (0.60) HTR1ADRD2HTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL2516709 0.78 KCNH2 (0.62) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL10725629 0.78 HTR1A (0.78) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL27236997 0.77 DRD3 (1.00) HTR1ADRD2HTR2AHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
US-4038279-A CNS DEPRESSANTS, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC BOEHRINGER INGELHEIM GMBH (DT) 1977-07-26 US disclosed
US-4000274-A PHARMACEUTICAL COMPOSITIONS CONTAINING AN N-ARYL-N'-(PHENYL-OR-PHENOXY-ALKYL)-PIPERAZINE AND METHOD OF USE BOEHRINGER INGELHEIM GMBH (DT) 1976-12-28 US disclosed
US-3975525-A CNS DEPRESSANT, NEUROLEPTIC, ANTICHOLESTEROL BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed
US-3941789-A CNS DEPRESSANT, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC, ANTIHISTAMINE, ANTICHOLESTEROL BOEHRINGER INGELHEIM GMBH (DT) 1976-03-02 US disclosed
US-3937708-A CNS-DEPRESSANTS, NEUROLEPTICS, ANALGESICS, ANTIPHLOGISTICS, SPASMOLYTICS, BRONCHOLYTICS, HYPOTENSIVES, ANTICHOLESTEREMICS BOEHRINGER INGELHEIM GMBH (DT) 1976-02-10 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HTR1A 3574/4885DRD2 4385/4885HTR2A 3408/4885

“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.