SCHEMBL14760896

SCHEMBL14760896

O=C(O)NC1CCN(CC2CCC(F)(F)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.48
CHRM1 P11229 10/20 0.48
CHRM3 P20309 10/20 0.48
CX3CR1 P49238 1/20 0.46
EPHX2 P34913 1/20 0.46
CCR1 P32246 5/20 0.43
CXCR3 P49682 2/20 0.37
CYP3A4 P08684 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL4909423 0.85 CCR1 (0.50) CHRM2CHRM1CHRM3CCR1CXCR3
SCHEMBL5555057 0.81 CCR1 (0.60) CHRM2CHRM1CHRM3CCR1
SCHEMBL14760990 0.80 DRD2 (0.51) CHRM2CHRM1CHRM3CX3CR1EPHX2
SCHEMBL2772737 0.78 EPHX2 (0.51) CHRM2CHRM1CHRM3EPHX2
SCHEMBL3487314 0.77 CCR1 (0.44) CHRM2CHRM1CHRM3CCR1CYP3A4
SCHEMBL1868922 0.76 EPHX2 (0.49) CHRM2CHRM1CHRM3EPHX2
SCHEMBL15130431 0.76 CHRM5 (0.48) CHRM2CHRM1CHRM3CCR1
SCHEMBL15191011 0.76 CHRM5 (0.48) CHRM2CHRM1CHRM3CCR1
SCHEMBL27955416 0.75 CHRM2 (0.37) CHRM2CHRM1CHRM3CX3CR1EPHX2
SCHEMBL4119272 0.74 CHRM5 (0.52) CHRM2CHRM1CHRM3CCR1

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
EP-2757103-B1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE EISAI R&D MAN CO LTD (JP) 2016-01-06 EP disclosed
US-8476301-B2 Pyrrolidin-3-ylacetic acid derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-02 US disclosed
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-14 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-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE CX3CR1, CCR2, CCL2 CHRM2 164/4885CHRM1 187/4885CHRM3 143/4885

“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.