SCHEMBL8034390

SCHEMBL8034390

CC1c2cccnc2CCN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
CYP19A1 P11511 4/20 0.39
CYP2D6 P10635 2/20 0.39
TBXAS1 P24557 3/20 0.38
HTR1A P08908 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 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
SCHEMBL15222063 1.00 MAOA (0.40) MAOACYP19A1CYP2D6TBXAS1HTR1A
SCHEMBL14877507 0.82 CYP2D6 (0.35) CYP19A1CYP2D6TBXAS1HTR1ACYP1A2
SCHEMBL15020409 0.78 PPARG (0.39) CYP19A1CYP2D6TBXAS1CYP2C9TSHR
SCHEMBL8277225 0.76 CYP19A1 (0.38) CYP19A1CYP2D6TBXAS1HTR1ACYP2C9
SCHEMBL31569049 0.75 TRPC3 (0.45) TBXAS1CYP2C9TSHRDRD1HTR2A
SCHEMBL34469202 0.73 CYP2D6 (0.36) CYP19A1CYP2D6TBXAS1CYP2C9TSHR
SCHEMBL21710232 0.73 MAOA (0.36) MAOA
SCHEMBL8026337 0.72 MAOA (0.40) MAOA
SCHEMBL8028806 0.72 MAOA (0.40) MAOAHTR1ACHRM2CHRM1HTR2A
SCHEMBL8028625 0.72 GRM5 (0.38) MAOADRD1HTR2AHTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO 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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 MAOA 2723/4885CYP19A1 1684/4885CYP2D6 3517/4885

“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.