SCHEMBL299223

SCHEMBL299223

C1=CN(Cc2ccccc2)C=C(c2cc(Cc3ccccc3)n[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 3/20 0.34
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
ALDH1A1 P00352 4/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNMA1 Q12791 1/20 0.31
HTR2C P28335 1/20 0.30
CDC7 O00311 2/20 0.30
JAK2 O60674 2/20 0.30
ROCK2 O75116 2/20 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
SCHEMBL27871675 0.77 KMT2A (0.33) L3MBTL1TSHR
SCHEMBL28114539 0.69 RAB9A (0.53) DRD4DRD3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27871691 0.69
SCHEMBL24878534 0.65 LMNA (0.41) SIGMAR1ALDH1A1SMN1; SMN2GSK3BTSHR
SCHEMBL25626443 0.65 SIGMAR1 (0.36) SIGMAR1ALDH1A1GSK3BMGLLGSK3A
SCHEMBL9337473 0.65 ALDH1A1 (0.39) DRD4DRD3DRD2SIGMAR1ALDH1A1
SCHEMBL25336331 0.64 MKNK2 (0.43) DRD4DRD3ALDH1A1CYP3A4RAB9A
SCHEMBL23361673 0.62 NR1H2 (0.44) HTR2BALDH1A1CYP2C9RAB9ASMN1; SMN2
SCHEMBL24622013 0.62 HPGD (0.44) HTR2BSIGMAR1ALDH1A1HTR2CHPGD
SCHEMBL22092518 0.62 NOTUM (0.40) SIGMAR1ALDH1A1CYP2C9CYP2C19SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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 (1 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT DRD4 2240/4885DRD3 3363/4885DRD2 4239/4885

“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.