SCHEMBL9298944

SCHEMBL9298944

O=C(O)[C@@H]1C[C@@H](Sc2ccccc2)CN1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 11/20 0.52
GRIA2 P42262 8/20 0.51
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CTSC P53634 1/20 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
SCHEMBL7890460 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL9298943 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL642482 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL642481 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL7455717 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL1357984 0.98 GRIK1 (0.51) GRIK1GRIA2CYP1A2CYP2D6ALOX15
Bromide SCHEMBL7340598 0.98 GRIK1 (0.51) GRIK1GRIA2CYP1A2CYP2D6ALOX15
Bromide SCHEMBL7340595 0.98 GRIK1 (0.51) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL3186750 0.91 GRIK1 (0.51) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL9299206 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15

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 11 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618809-A1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A4 BRADYKININ TYPE PEPTIDES. SCIOS NOVA INC (US) 1994-07-28 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
WO-1992018155-A1 BRADYKININ TYPE PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
EP-0052991-B1 CARBOXYALKYL AMINO ACID DERIVATIVES OF VARIOUS SUBSTITUTED PROLINES E.R. Squibb & Sons, Inc. (US) 1987-02-04 EP 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

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 GRIK1 672/4885GRIA2 1636/4885CYP1A2 3856/4885

“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.