SCHEMBL1968409

SCHEMBL1968409

CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.52
NPC1L1 Q9UHC9 9/20 0.47
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ADRA1A P35348 1/20 0.43
CNR2 P34972 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL21287230 0.87 NPC1L1 (0.48) NPC1L1NPFFR1NPFFR2SIGMAR1CNR2
SCHEMBL21631394 0.83 KDM1A (0.59) NPFFR1NPFFR2SIGMAR1
SCHEMBL31387655 0.82 MEN1 (0.42) NPFFR1NPFFR2SIGMAR1
SCHEMBL17507865 0.80 MEN1 (0.42) NPFFR1NPFFR2SIGMAR1
SCHEMBL3273006 0.79 KDM1A (0.52) NPFFR1NPFFR2SIGMAR1
SCHEMBL19995685 0.79 KDM1A (0.54)
SCHEMBL9898597 0.78 HPGD (0.44) NPC1L1SIGMAR1CHRM2CHRM3
SCHEMBL19183444 0.78 KDM1A (0.46) NPFFR1NPFFR2
SCHEMBL30018443 0.77 MEN1 (0.41) NPFFR1NPFFR2SIGMAR1
SCHEMBL9898583 0.76 NPC1L1 (0.43) NPC1L1NPFFR1NPFFR2CHRM2CHRM3

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 HTR1A 9/4885NPC1L1 379/4885NPFFR1 264/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR1A 25/4885NPC1L1 522/4885NPFFR1 631/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR1A 25/4885NPC1L1 522/4885NPFFR1 631/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 HTR1A 9/4885NPC1L1 379/4885NPFFR1 264/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR1A 25/4885NPC1L1 522/4885NPFFR1 631/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 HTR1A 21/4885NPC1L1 524/4885NPFFR1 621/4885

“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.