SCHEMBL2633807

SCHEMBL2633807

C=CCCC1(C(=O)OC)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MME P08473 1/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7271169 0.88 CYP4F2 (0.59) CYP4F2CYP4A11NPSR1ALDH1A1LMNA
SCHEMBL2479396 0.85 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1LMNACYP3A4
SCHEMBL2634069 0.84 CYP4F2 (0.57) CYP4F2CYP4A11NPSR1ALDH1A1MME
SCHEMBL25188768 0.81 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1ALDH1A1LMNA
SCHEMBL34476313 0.80 CYP4F2 (0.49) CYP4F2CYP4A11NPSR1ALDH1A1LMNA
SCHEMBL2633828 0.80 CYP4F2 (0.49) CYP4F2CYP4A11NPSR1ALDH1A1LMNA
SCHEMBL21930224 0.79 MEN1 (0.40) CYP4F2CYP4A11LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL29168739 0.78 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL16113510 0.76 PKM (0.45) CYP4F2CYP4A11
SCHEMBL6627868 0.76 CYP4F2 (0.61) CYP4F2CYP4A11NPSR1ALDH1A1LMNA

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533995-B2 Substituted N-heteroaryl spirolactam bipyrrolidines, preparation and therapeutic use thereof SANOFI (FR) 2017-01-03 US disclosed
US-9533995-B2 Substituted N-heteroaryl spirolactam bipyrrolidines, preparation and therapeutic use thereof SANOFI (FR) 2017-01-03 US disclosed
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
EP-2569280-B1 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI SA (FR) 2015-02-25 EP disclosed
EP-2569280-B1 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI SA (FR) 2015-02-25 EP disclosed
US-20140315923-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-23 US disclosed
US-20140315923-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-23 US disclosed
US-20140315923-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-23 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 WO disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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 (2 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-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL CYP4F2 2193/4885CYP4A11 1183/4885NPSR1 1942/4885
US-20140315923-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF CHRM2, NR3C2, NPSR1 CYP4F2 557/4885CYP4A11 177/4885NPSR1 3/4885

“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.