SCHEMBL3182372

SCHEMBL3182372

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 4/20 0.49
▸ ARG1 P05089 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ MASP2 O00187 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ F2 P00734 2/20 0.38

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
SCHEMBL23273781 1.00 GRIK1 (0.49) GRIK1ARG1HRH3MASP2SLC2A1
SCHEMBL16967365 1.00 GRIK1 (0.49) GRIK1ARG1HRH3MASP2SLC2A1
SCHEMBL16967363 1.00 GRIK1 (0.49) GRIK1ARG1HRH3MASP2SLC2A1
SCHEMBL16967369 1.00 GRIK1 (0.49) GRIK1ARG1HRH3MASP2SLC2A1
Hydrochloric Acid SCHEMBL25363248 0.99 GRIK1 (0.50) GRIK1ARG1HRH3MASP2SLC2A1
SCHEMBL30323700 0.88 HRH3 (0.41) GRIK1HRH3MASP2SLC2A1CCR5
SCHEMBL23118028 0.86 GRIK1 (0.49) GRIK1ARG1HRH3MASP2F2
SCHEMBL21429709 0.85 CYP3A4 (0.43) HRH3MASP2CCR5F2
SCHEMBL21429712 0.85 CYP3A4 (0.43) HRH3MASP2CCR5F2
SCHEMBL11247986 0.84 F2 (0.51) GRIK1HRH3MASP2F2

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 5 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

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 GRIK1 449/4885ARG1 1752/4885HRH3 516/4885

“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.

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