SCHEMBL19199486

SCHEMBL19199486

COc1cc(N2CCC[C@H](C)C2)c(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CHRM4 P08173 8/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ GRM4 Q14833 1/20 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
SCHEMBL20036665 1.00 FFAR1 (0.44) FFAR1KDM4EHTTCHRM4CYP3A4
SCHEMBL19199760 0.87 FFAR1 (0.42) FFAR1KDM4EHTTGRM4
SCHEMBL17239718 0.80 FFAR1 (0.52) FFAR1CHRM4CYP3A4CYP2C8CYP2D6
SCHEMBL15718551 0.80 FFAR1 (0.52) FFAR1CHRM4CYP3A4CYP2C8CYP2D6
SCHEMBL15710212 0.80 FFAR1 (0.52) FFAR1CHRM4CYP3A4CYP2C8CYP2D6
SCHEMBL15710756 0.80 FFAR1 (0.52) FFAR1CHRM4CYP3A4CYP2C8CYP2D6
SCHEMBL20041258 0.78 FFAR1 (0.53) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036661 0.77 FFAR1 (0.58) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036630 0.77 FFAR1 (0.54) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL15718957 0.77 FFAR1 (0.46) FFAR1CHRM4FFAR4GRM4

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-20200299267-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-24 — — US disclosed
US-10717725-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 — — US disclosed
US-20190112293-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-18 — — US disclosed
US-10017497-B2 Pyrrolidine GPR40 modulators for the treatment of diseases such as diabetes BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-10 — — US disclosed
US-20180099949-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 — — US disclosed
US-20170217930-A1 PYRROLIDINE GPR40 MODULATORS FOR THE TREATMENT OF DISEASES SUCH AS DIABETES BRISTOL-MEYERS SQUIBB COMPANY (US) 2017-08-03 — — 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 (6 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-20200299267-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 FFAR1 45/4885KDM4E 3211/4885HTT 1477/4885
US-20190112293-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 FFAR1 45/4885KDM4E 3211/4885HTT 1477/4885
US-10717725-B2 Pyrrolidine GPR40 modulators GPR55, GPR65, GPR4 FFAR1 45/4885KDM4E 3211/4885HTT 1477/4885
US-20180099949-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 FFAR1 45/4885KDM4E 3211/4885HTT 1477/4885
US-10017497-B2 Pyrrolidine GPR40 modulators for the treatment of diseases such as diabetes GPR55, GPR65, GPR4 FFAR1 26/4885KDM4E 2726/4885HTT 1284/4885
US-20170217930-A1 PYRROLIDINE GPR40 MODULATORS FOR THE TREATMENT OF DISEASES SUCH AS DIABETES GPR55, GPR65, GPR4 FFAR1 26/4885KDM4E 2726/4885HTT 1284/4885

“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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