SCHEMBL4199804

SCHEMBL4199804

COC(=O)c1ccc(CCC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL1495911 0.85 ALDH1A1 (0.40) MAPTEPHX2NOTUMCA1CA2
SCHEMBL4210865 0.82 POLB (0.54) DPP4ALDH1A1KDM4ECCR6HKDC1
SCHEMBL3630580 0.80 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL1495955 0.79 EPHX2 (0.50) DPP4EPHX2NR1H4NOTUM
SCHEMBL25933615 0.79 DPP4 (0.48) DPP4MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL27359234 0.79 NPC1 (0.56) DPP4MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3653076 0.79 DPP4 (0.51) DPP4MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL24213970 0.78 NOTUM (0.46) DPP4MAPTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL12499484 0.77 DPP4 (0.50) DPP4MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL12680354 0.77 CYP4A11 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CAGE PETER 2009-01-08 — — US disclosed
EP-1996551-A2 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. AstraZeneca AB (SE) 2008-12-03 — — EP disclosed
WO-2007102769-A2 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 — — 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-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 MTNR1A 3695/4885MTNR1B 2765/4885DPP4 913/4885

“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.

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