SCHEMBL8025804

SCHEMBL8025804

CC1c2ccc(-c3cccs3)n2CCN1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KLF5 Q13887 1/20 0.35
TACR3 P29371 2/20 0.34
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 7/20 0.34
HPGD P15428 4/20 0.33
POLB P06746 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33

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
SCHEMBL930813 0.75 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8022254 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8028692 0.72 TACR3 (0.47) TACR3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8011487 0.71 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8028631 0.70 TACR3 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8034506 0.69 CYP3A4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9198888 0.67 KDM4E (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL12905189 0.67 KDM4E (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
Fumaric Acid SCHEMBL7277621 0.67 KDM4E (0.36) ALDH1A1KDM4EMAPTLMNAMEN1
Fumaric Acid SCHEMBL9430897 0.67 KDM4E (0.36) ALDH1A1KDM4EMAPTLMNAMEN1

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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 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
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 CHRM2 1363/4885CHRM4 449/4885CHRM5 87/4885

“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.