SCHEMBL2059320

SCHEMBL2059320

CCOC(=O)[C@@H]1C[C@H](Sc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ACE P12821 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CTSS P25774 1/20 0.41
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTRA1 Q92743 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNB1 Q02641 1/20 0.39
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 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
SCHEMBL12589813 1.00 KMT2A (0.44) KMT2AACEMEN1ALDH1A1CTSS
SCHEMBL3196097 0.89 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1CTSSCYP1A2
SCHEMBL700092 0.87 NR1H2 (0.44) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL6847765 0.87 NR1H2 (0.44) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL6847598 0.87 NR1H2 (0.44) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL7374046 0.87 ACE (0.41) KMT2AACEMEN1CTSSHTRA1
SCHEMBL6847724 0.86 ACE (0.54) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL9542869 0.86 ACE (0.54) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL12646680 0.86 ACE (0.54) KMT2AACECTSSHTRA1CYP1A2
SCHEMBL7380297 0.86 ACE (0.54) KMT2AACECTSSHTRA1CYP1A2

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
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US 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
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
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
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 KMT2A 3653/4885ACE 727/4885MEN1 4748/4885

“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.