SCHEMBL3299799

SCHEMBL3299799

CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(C(=O)O)CCOCC3)CC2)c2ccccc21.O=S(=O)(O)c1ccccc1

nearest known ligand 0.73

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.73
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2974345 0.94 HTR4 (0.81) HTR4KCNH2
SCHEMBL3299811 0.89 HTR4 (0.70) HTR4KCNH2
SCHEMBL3292570 0.89 HTR4 (0.73) HTR4
Hydrochloric Acid SCHEMBL3295872 0.88 HTR4 (0.72) HTR4
SCHEMBL2974887 0.87 HTR4 (0.71) HTR4
SCHEMBL2964513 0.87 HTR4 (0.71) HTR4
SCHEMBL3292572 0.86 HTR4 (0.70) HTR4
SCHEMBL2329972 0.84 HTR4 (1.00) HTR4
Hydrochloric Acid SCHEMBL2966179 0.84 HTR4 (0.98) HTR4KCNH2
SCHEMBL3293406 0.84 HTR4 (0.74) HTR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 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 (4 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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR4 4/4885KCNH2 340/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR4 4/4885KCNH2 340/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 HTR4 4/4885KCNH2 340/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 HTR4 4/4885KCNH2 335/4885

“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.