SCHEMBL2059282

SCHEMBL2059282

COC(=O)[C@@H]1C[C@@H](Sc2ccc(C)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.36
HTRA1 Q92743 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL12589789 1.00 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6842749 1.00 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6847628 0.90 P2RX3 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL14175326 0.90 MMP2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL5063285 0.90 MMP2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6847624 0.90 P2RX3 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6847598 0.89 NR1H2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL700092 0.89 NR1H2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6847765 0.89 NR1H2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6848112 0.88 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19LMNA

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-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
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
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 CYP1A2 3856/4885POLB 1073/4885CYP3A4 4220/4885

“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.