SCHEMBL8535552

SCHEMBL8535552

c1ncn(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL28005739 0.77 KDM4E (0.53) HTR1AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL8426568 0.75 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2CYP2A6CYP19A1
SCHEMBL8536271 0.74 NOTUM (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7099717 0.73 HTR1A (0.45) HTR1AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL8404071 0.73 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19961724 0.73 CYP19A1 (0.50) KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2
SCHEMBL27905069 0.72 SMN1; SMN2 (0.72) HTR1AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL9091484 0.71 CYP19A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28055039 0.71 HTR1A (0.50) HTR1AHTR2CCYP19A1CYP17A1CYP11B1
SCHEMBL11926858 0.69 CYP2A6 (0.62) HTR1AHTR2CKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192510-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2019-06-27 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
EP-2532656-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-12-12 EP disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 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 (3 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-20190192510-A1 GPR119 AGONIST GPR119, GPR4, GPR27 HTR1A 271/4885HTR2C 436/4885GABRP 1033/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 HTR1A 277/4885HTR2C 449/4885GABRP 296/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 HTR1A 277/4885HTR2C 338/4885GABRP 752/4885

“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.