SCHEMBL1650106

SCHEMBL1650106

CCN(CC)CCCOc1ccc(-n2cc(-c3ccc(OCCc4ccc(Cl)cc4)cc3)nc2C2CCN(Cc3ccc(N)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.53
HRH3 Q9Y5N1 2/20 0.44
HTR2A P28223 5/20 0.42
MCHR1 Q99705 5/20 0.42
CHRM1 P11229 3/20 0.41
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
DRD4 P21917 1/20 0.37
CHRM2 P08172 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
SCHEMBL1615408 0.93 AGER (0.54) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1615409 0.93 AGER (0.53) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1615686 0.92 AGER (0.57) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1615460 0.91 AGER (0.52) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1283596 0.90 AGER (0.62) AGERHRH3DRD2DRD3ATP4A
SCHEMBL1614604 0.89 AGER (0.51) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1615452 0.89 AGER (0.51) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1284028 0.88 AGER (0.60) AGERHRH3DRD2DRD3ATP4A
SCHEMBL1283741 0.87 AGER (0.58) AGERHRH3HTR2AMCHR1CHRM1
SCHEMBL1283607 0.87 AGER (0.59) AGERHRH3HTR2AMCHR1DRD2

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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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 (3 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885HRH3 1265/4885HTR2A 4529/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B AGER 1/4885HRH3 1008/4885HTR2A 4514/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885HRH3 1008/4885HTR2A 4514/4885

“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.