SCHEMBL19199760

SCHEMBL19199760

CCOc1cc(N2CCC[C@H](C)C2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ACACB O00763 3/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GRM4 Q14833 1/20 0.35

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 0.87 FFAR1 (0.44) FFAR1KDM4EHTTGRM4
SCHEMBL19199486 0.87 FFAR1 (0.44) FFAR1KDM4EHTTGRM4
SCHEMBL31262550 0.69 KDM4E (0.42) KDM4EHTTGAANPC1ATM
SCHEMBL30919945 0.68 NPC1 (0.46) KDM4ENPC1ATMLRRK2MAPT
SCHEMBL15710756 0.68 FFAR1 (0.52) FFAR1
SCHEMBL15710212 0.68 FFAR1 (0.52) FFAR1
SCHEMBL15718551 0.68 FFAR1 (0.52) FFAR1
SCHEMBL17239718 0.68 FFAR1 (0.52) FFAR1
SCHEMBL20041258 0.67 FFAR1 (0.53) FFAR1
SCHEMBL20036608 0.67 FFAR1 (0.45) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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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