SCHEMBL5517558

SCHEMBL5517558

O=C1CCCCC1Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.52
PTGS1 P23219 5/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA6 P23280 4/20 0.47
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11794283 0.98 PTGS2 (0.51) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9166295 0.96 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9790769 0.84 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL4595 0.84 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169546 0.84 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL7623394 0.82 NPC1 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9147334 0.82 PTGS1 (0.52) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL225031 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL7338783 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL6387863 0.82 PTGS1 (0.52) PTGS2PTGS1OPRK1HTTKMT2A

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
US-7126010-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-10-24 US disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2005-06-09 US disclosed
US-6864380-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-08 US disclosed
US-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2004-01-22 US disclosed
US-6608227-B1 Prevention of inflammatory diseases such as asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA 2003-08-19 US disclosed
EP-1220836-A2 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2002-07-10 EP disclosed
WO-2001028987-A1 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-26 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 (3 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A PTGS2 998/4885PTGS1 641/4885OPRK1 101/4885
US-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 PTGS2 1471/4885PTGS1 466/4885OPRK1 173/4885
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 PTGS2 1133/4885PTGS1 556/4885OPRK1 193/4885

“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.