SCHEMBL3173253

SCHEMBL3173253

O=C(O)[C@@H]1C[C@H](Cc2ccc(F)cc2)CN1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
GRIK1 P39086 4/20 0.52
F2 P00734 2/20 0.45
ARG1 P05089 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MASP2 O00187 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL31524208 1.00 HRH3 (0.55) HRH3GRIK1F2ARG1MEN1
SCHEMBL31080928 1.00 HRH3 (0.55) HRH3GRIK1F2ARG1MEN1
SCHEMBL31080931 1.00 HRH3 (0.55) HRH3GRIK1F2ARG1MEN1
SCHEMBL11234759 1.00 HRH3 (0.55) HRH3GRIK1F2ARG1MEN1
SCHEMBL30471654 0.87 HRH3 (0.54) HRH3GRIK1F2MEN1KMT2A
SCHEMBL19292680 0.86 HRH3 (0.54) HRH3GRIK1F2ARG1MASP2
SCHEMBL22536533 0.86 HRH3 (0.54) HRH3GRIK1F2ARG1MASP2
SCHEMBL1706921 0.86 HRH3 (0.54) HRH3GRIK1F2ARG1MASP2
SCHEMBL199035 0.86 HRH3 (0.54) HRH3GRIK1F2ARG1MASP2
SCHEMBL199034 0.86 HRH3 (0.54) HRH3GRIK1F2ARG1MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 EP disclosed
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed
EP-1558246-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20040132801-A1 Therapeutic proline derivatives RAWSON DAVID JAMES (GB) 2004-07-08 US disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 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-20040132801-A1 Therapeutic proline derivatives PRRC2C, SLC6A7, FAAH HRH3 516/4885GRIK1 449/4885F2 410/4885

“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.