SCHEMBL13490644

SCHEMBL13490644

Cc1ccc(C2=CCCN(C=O)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GRM5 P41594 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
METAP2 P50579 1/20 0.33
TACR3 P29371 1/20 0.33
CHRM1 P11229 1/20 0.33
SMO Q99835 4/20 0.32

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
SCHEMBL13592737 0.83 CHRM2 (0.31) CHRM2CHRM3CHRM1
SCHEMBL169361 0.81 CDK13 (0.34) CHRM1
SCHEMBL13490671 0.80 PDE4D (0.36) CHRM2CHRM3CHRM1
SCHEMBL12951109 0.79 CHRM2 (0.54) CCR1CCR5CCR8HDAC6CHRM2
SCHEMBL169422 0.77 KDM4E (0.31) CHRM2CHRM3
SCHEMBL13490401 0.77 NPC1 (0.38)
SCHEMBL13490673 0.75 CCR1 (0.43) CCR1CCR5CCR8HDAC6CHRM2
SCHEMBL171305 0.75 HRH3 (0.37) GRM5
SCHEMBL13490577 0.73 LMNA (0.47) CCR1CCR5CCR8HDAC6GRM5
SCHEMBL13490368 0.71 GAA (0.42) GRM5CYP3A4

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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CCR1 1133/4885CCR5 221/4885CCR8 1506/4885

“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.