Sugi Predict

Sugi Predict / Compounds / SCHEMBL6930161

SCHEMBL6930161

SCHEMBL6930161

CC1=C(C#N)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(COCCN)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.46
▸ ADRA2A P08913 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ KCNK2 O95069 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6925906 0.94 CACNA1B (0.46) CACNA1BADRA2AADRA1AADRA2CADRA1D
SCHEMBL4502482 0.89 CACNA1B (0.59) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL6931083 0.88 CACNA1B (0.56) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL7750506 0.86 CACNA1B (0.46) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL6929475 0.83 CACNA1B (0.52) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL6929598 0.83 CACNA1B (0.49) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL4510068 0.83 CACNA1B (0.59) CACNA1BCASR
SCHEMBL14500659 0.82 CACNA1B (0.47) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL6929235 0.82 CACNA1B (0.49) CACNA1BADRA2AADRA1AHTR1ACHRM1
SCHEMBL6929484 0.81 CACNA1B (0.56) CACNA1BADRA2AADRA1AHTR1ACHRM1

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-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

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 CACNA1B 1/4885ADRA2A 349/4885ADRA1A 390/4885

“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.