SCHEMBL1968493

SCHEMBL1968493

COC(=O)C1(CN2CCC(CN)CC2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NCF1 P14598 1/20 0.36
TPSAB1 Q15661 3/20 0.35
TPSD1 Q9BZJ3 3/20 0.35
TPSG1 Q9NRR2 3/20 0.35
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ACHE P22303 1/20 0.30
HTR4 Q13639 1/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 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
SCHEMBL1970718 0.97 CYP4F2 (0.40) CYP4F2CYP4A11NCF1TPSAB1TPSD1
SCHEMBL5114260 0.88 HTR4 (0.34) NCF1TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL5115690 0.84 CYP4F2 (0.44) CYP4F2CYP4A11KDM1ASMN1; SMN2
SCHEMBL8262149 0.82 PLG (0.38) NCF1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL3589272 0.81 CYP4F2 (0.34) CYP4F2CYP4A11NCF1CHRM2CHRM1
SCHEMBL3295202 0.79 CYP4F2 (0.39) CYP4F2CYP4A11NCF1PLGPLAT
SCHEMBL3296699 0.78 CYP2C19 (0.41) NCF1KDM1ASMN1; SMN2CYP2D6PLG
SCHEMBL1973738 0.77 DRD2 (0.43) SMN1; SMN2
SCHEMBL24577446 0.76 CYP4F2 (0.46) CYP4F2CYP4A11KDM1ASMN1; SMN2CYP2D6
SCHEMBL1972295 0.76 CYP3A4 (0.37) SMN1; SMN2CYP2D6

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
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 US 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 (6 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 CYP4F2 715/4885CYP4A11 422/4885NCF1 3425/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 CYP4F2 715/4885CYP4A11 422/4885NCF1 3425/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 CYP4F2 1184/4885CYP4A11 672/4885NCF1 2995/4885

“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.