SCHEMBL6932441

SCHEMBL6932441

CCO[CH]c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
CYP11B1 P15538 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP19A1 P11511 4/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6205337 0.84 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1CYP19A1CHRNB2
SCHEMBL6630565 0.78
SCHEMBL289623 0.75
SCHEMBL6927456 0.75 CYP1A2 (0.41) CYP11B2ALDH1A1CYP19A1KMT2AMEN1
SCHEMBL93706 0.74 RELA (0.47) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL9498067 0.73 TAAR1 (0.61) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL9498059 0.73 TAAR1 (0.61) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL13699212 0.72 CHRNB2 (0.54) CYP11B2CYP11B1ALDH1A1CYP19A1CHRNB2
SCHEMBL22714727 0.71 CHRNB2 (0.62) CYP11B2CYP11B1ALDH1A1CHRNB2CHRNA4
SCHEMBL29511509 0.71 CHRNB2 (0.62) CYP11B2CYP11B1ALDH1A1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-20020193605-A1 New dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1191022-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP disclosed
CN-1185154-A Bicyclic amines as insecticides ZENECA LTD (GB) 1998-06-17 CN 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-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CYP11B2 2012/4885CYP11B1 2495/4885ALDH1A1 1372/4885

“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.