SCHEMBL14760883

SCHEMBL14760883

FC(F)c1cccc(Cl)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
CFD P00746 1/20 0.36
AKR1B1 P15121 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
PNMT P11086 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2A13 Q16696 2/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15653444 0.82 AKR1B1 (0.41) TAAR1CFDAKR1B1GAACYP1A2
SCHEMBL15654975 0.82 TAAR1 (0.39) TAAR1CFDAKR1B1GAACYP1A2
SCHEMBL15654413 0.80 TAAR1 (0.38) TAAR1CFDAKR1B1GAACYP1A2
SCHEMBL9770 0.78 TAAR1 (0.50) TAAR1AKR1B1GAACYP1A2CYP3A4
SCHEMBL23326430 0.78
SCHEMBL29861568 0.78
SCHEMBL11029873 0.75 TAAR1 (0.48) TAAR1AKR1B1GAACYP1A2CYP3A4
SCHEMBL29713144 0.72 TAAR1 (0.61) TAAR1GAACYP1A2CYP3A4SMN1; SMN2
SCHEMBL4706 0.72 TAAR1 (0.61) TAAR1GAACYP1A2CYP3A4SMN1; SMN2
SCHEMBL16952901 0.72 PNMT (0.56) TAAR1CYP1A2CYP3A4CYP2D6NFKB1

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 4 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
EP-2757103-A1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-07-23 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 TAAR1 681/4885CFD 464/4885AKR1B1 1100/4885

“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.