SCHEMBL4096397

SCHEMBL4096397

O=C(O)N1C[C@H](CO)[C@@H](c2ccccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CCR5 P51681 1/20 0.40
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
HSD17B2 P37059 1/20 0.37
HDAC4 P56524 2/20 0.37
RORC P51449 3/20 0.36
POLB P06746 1/20 0.36
TBXA2R P21731 1/20 0.36
KCNN4 O15554 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4009937 0.81 PDE4B (0.49) BRD4RORC
SCHEMBL14495534 0.81 PDE4B (0.49) BRD4RORC
SCHEMBL14498549 0.81 PDE4B (0.49) BRD4RORC
SCHEMBL4099146 0.80 CCR5 (0.48) CCR5
SCHEMBL23924278 0.79 MEN1 (0.46) HTR2CHTR2BKDM1AKDM1BMEN1
SCHEMBL23924276 0.79 MEN1 (0.46) HTR2CHTR2BKDM1AKDM1BMEN1
SCHEMBL28946407 0.78 ALB (0.35) HTR2CHTR2BCCR5MEN1KMT2A
SCHEMBL28016668 0.78 ALB (0.35) HTR2CHTR2BCCR5MEN1KMT2A
SCHEMBL1105807 0.77 BRD4 (0.41) HTR2CHTR2BCCR5KDM1AMEN1
SCHEMBL1105721 0.77 BRD4 (0.41) HTR2CHTR2BCCR5KDM1AMEN1

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-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
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

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 HTR2C 2328/4885HTR2B 2231/4885CCR5 1050/4885

“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.