SCHEMBL5889429

SCHEMBL5889429

Cc1nc2c(C(=O)O)cc(Cl)c(N)n2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
SORT1 Q99523 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5889550 0.73 HTR3A (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6177967 0.70 HTR3A (0.41) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL6177253 0.70 GRIN2D (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28149480 0.69 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11548592 0.68 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6178061 0.68 KCNH2 (0.41) SORT1KDM4EALDH1A1TDP1GAA
SCHEMBL5777321 0.68 HTR3A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6178115 0.67 HTR3A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL473918 0.65 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10564551 0.65 KEAP1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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-7012080-B2 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC. (US) 2006-03-14 US disclosed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 US disclosed
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC 2004-06-24 US disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GABRP 263/4885GABRD 417/4885GABRA1 317/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GABRP 153/4885GABRD 515/4885GABRA1 349/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 GABRP 192/4885GABRD 433/4885GABRA1 232/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 GABRP 248/4885GABRD 436/4885GABRA1 316/4885

“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.