SCHEMBL3182602

SCHEMBL3182602

O=C(O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.47
GRIA2 P42262 2/20 0.47
HRH3 Q9Y5N1 9/20 0.46
KCNH2 Q12809 4/20 0.41
PTPN7 P35236 1/20 0.41

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
SCHEMBL7345824 1.00 GRIK1 (0.47) GRIK1GRIA2HRH3KCNH2PTPN7
SCHEMBL27813547 1.00 GRIK1 (0.47) GRIK1GRIA2HRH3KCNH2PTPN7
SCHEMBL12571288 0.88 HRH3 (0.43) HRH3KCNH2
SCHEMBL6943424 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL29380816 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL3448482 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL3448485 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL3180028 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL13584955 0.85 HRH3 (0.54) GRIK1GRIA2HRH3
SCHEMBL13357840 0.85 IKBKB (0.55) GRIK1GRIA2HRH3KCNH2

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 8 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-4462943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed
US-4316906-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 GRIK1 449/4885GRIA2 1499/4885HRH3 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.