SCHEMBL4186191

SCHEMBL4186191

C[C@]1(C(=O)O)CN(Cc2ccccc2)C[C@@H]1CF

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.48
ARG2 P78540 1/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
FUCA1 P04066 2/20 0.41
NR1I2 O75469 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 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
SCHEMBL4186190 1.00 ARG1 (0.48) ARG1ARG2GAAMEN1KMT2A
SCHEMBL4179773 0.88 ARG1 (0.49) ARG1ARG2GAAMEN1KMT2A
SCHEMBL4179778 0.88 ARG1 (0.49) ARG1ARG2GAAMEN1KMT2A
SCHEMBL10306099 0.85 CYP3A4 (0.47) ARG1ARG2GAAMEN1KMT2A
SCHEMBL3977998 0.85 CYP3A4 (0.47) ARG1ARG2GAAMEN1KMT2A
SCHEMBL4176734 0.82 OPRM1 (0.50) ARG1ARG2GAAMEN1KMT2A
SCHEMBL1716774 0.82 OPRM1 (0.50) ARG1ARG2GAAMEN1KMT2A
SCHEMBL18668648 0.82 S1PR5 (0.49) ARG1ARG2GAAMEN1KMT2A
SCHEMBL4183999 0.82 OPRM1 (0.50) ARG1ARG2GAAMEN1KMT2A
SCHEMBL13769487 0.81 GAA (0.47) ARG1ARG2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (2 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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 ARG1 400/4885ARG2 848/4885GAA 487/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 ARG1 779/4885ARG2 1032/4885GAA 1156/4885

“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.