SCHEMBL4839283

SCHEMBL4839283

CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.49
HTR2C P28335 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.37
CCR3 P51677 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
DRD4 P21917 1/20 0.35
IGF2BP2 Q9Y6M1 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
SCHEMBL5449234 1.00 CCR2 (0.49) CCR2HTR2CEPHX1KDM1ACCR3
SCHEMBL4850026 0.88 CCR2 (0.62) CCR2CCR3RXFP1
SCHEMBL4850015 0.88 CCR2 (0.62) CCR2CCR3RXFP1
SCHEMBL4839187 0.85 CCR2 (0.46) CCR2HTR2CEPHX1KDM1ARXFP1
SCHEMBL4847640 0.82 CCR2 (0.61) CCR2HTR2CEPHX1CCR3
SCHEMBL4849796 0.82 CCR2 (0.61) CCR2HTR2CEPHX1CCR3
Acetic Acid SCHEMBL5702362 0.81 CCR2 (0.57) CCR2HTR2CEPHX1KDM1ACCR3
Acetic Acid SCHEMBL5702355 0.81 CCR2 (0.57) CCR2HTR2CEPHX1KDM1ACCR3
SCHEMBL4839183 0.81 CCR2 (0.41) CCR2HTR2CEPHX1RXFP1IGF2BP2
SCHEMBL2991053 0.80 IGF2BP2 (0.46) CCR2RXFP1IGF2BP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
US-20070073064-A1 Method for producing aminopyrrolidine derivatives and intermediate compounds TEIJIN PHARMA LIMITED (JP) 2007-03-29 US disclosed
EP-1676837-A1 PROCESS FOR PRODUCING AMINOPYRROLIDINE DERIVATIVE AND INTERMEDIATE COMPOUND Teijin Pharma Limited (JP) 2006-07-05 EP disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 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-20070073064-A1 Method for producing aminopyrrolidine derivatives and intermediate compounds ACKR3, CCR2, CCR5 CCR2 2/4885HTR2C 454/4885EPHX1 2051/4885

“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.