SCHEMBL4100775

SCHEMBL4100775

C[C@@H](NC[C@@H]1CN(C(=O)CCCCC(=O)OCc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
ADRB1 P08588 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
GLRA1 P23415 1/20 0.44
AVPR2 P30518 1/20 0.44
HRH1 P35367 1/20 0.44
MC3R P41968 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4100767 1.00 CASR (0.44) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL4094909 0.90 CASR (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL4094905 0.90 CASR (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL4101969 0.89 CASR (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL4101965 0.89 CASR (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL4106165 0.83 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL4106160 0.83 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL4106166 0.82 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL4106171 0.82 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL4100894 0.82 CASR (0.48) CASRADRA2CSLC6A2HTR2CSLC6A4

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
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (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 (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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CASR 1/4885ADRA2C 858/4885SLC6A2 2181/4885

“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.