SCHEMBL5515387

SCHEMBL5515387

NCC1(O)CCC(OCc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
HDAC4 P56524 2/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
NAAA Q02083 1/20 0.43
TRPA1 O75762 1/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40

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
SCHEMBL14451368 0.84 DPP4 (0.68) DPP4CARM1PRMT6IDO1OPRM1
Hydrochloric Acid SCHEMBL5514632 0.83 DPP4 (0.67) DPP4CARM1PRMT6AGXTOPRM1
SCHEMBL5513961 0.83 CARM1 (0.50) DPP4CARM1PRMT6TRPA1IDO1
SCHEMBL14451450 0.80 TRPA1 (0.52) TRPA1
SCHEMBL14451415 0.79 TRPA1 (0.44) TRPA1
SCHEMBL5514770 0.79 CARM1 (0.46) DPP4HDAC4CARM1PRMT6NAAA
Hydrochloric Acid SCHEMBL5515266 0.78 TRPA1 (0.43) TRPA1
Hydrochloric Acid SCHEMBL5515265 0.78 TRPA1 (0.43) TRPA1
Hydrochloric Acid SCHEMBL5515267 0.78 TRPA1 (0.43) TRPA1
Hydrochloric Acid SCHEMBL5523013 0.78 TRPA1 (0.51) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A DPP4 3284/4885HDAC4 196/4885CARM1 1945/4885

“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.