SCHEMBL12844641

SCHEMBL12844641

CCc1ccc(C(=O)N2CCSC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.48
HPGD P15428 5/20 0.46
GRM5 P41594 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL12844179 0.81 HRH3 (0.54) HPGDGRM5HRH3RAB9AALDH1A1
SCHEMBL12844390 0.81 HRH3 (0.57) HPGDGRM5HRH3RAB9AALDH1A1
SCHEMBL18199107 0.79 GRM5 (0.54) HPGDGRM5HRH3RAB9A
SCHEMBL12776443 0.78 HPGD (0.49) GABRA5HPGDGRM5RAB9AALDH1A1
SCHEMBL23733489 0.78 HRH3 (0.54) HPGDHRH3RAB9AALDH1A1HSD17B10
SCHEMBL26421763 0.78 SIGMAR1 (0.50) HPGDHRH3RAB9ASMN1; SMN2
SCHEMBL21267333 0.78 SMN1; SMN2 (0.65) HPGDGRM5HRH3RAB9AALDH1A1
SCHEMBL22876967 0.76 L3MBTL3 (0.65) HRH3RAB9A
SCHEMBL16712647 0.76 HRH3 (0.72) HRH3
SCHEMBL21414447 0.75 ALDH1A1 (0.55) HRH3RAB9AALDH1A1

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK GABRA5 1998/4885HPGD 18/4885GRM5 3073/4885

“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.