SCHEMBL6286133

SCHEMBL6286133

CSc1ccc(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(C)n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 11/20 0.66
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL6276441 0.86 SOAT1 (0.76) SOAT1RAB9ANPC1NPSR1CYP1A2
SCHEMBL6276555 0.83 SOAT1 (0.69) SOAT1RAB9ANPC1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL6282862 0.82 SOAT1 (0.68) SOAT1RAB9ANPC1NPSR1CYP1A2
SCHEMBL6282739 0.81 SOAT1 (0.73) SOAT1RAB9ANPC1ALDH1A1POLB
SCHEMBL6284669 0.81 SOAT1 (0.76) SOAT1
SCHEMBL4513200 0.80 SOAT1 (1.00) SOAT1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL6280341 0.78 SOAT1 (1.00) SOAT1
SCHEMBL6282183 0.76 SOAT1 (0.79) SOAT1
SCHEMBL6282104 0.76 SOAT1 (1.00) SOAT1
SCHEMBL6282018 0.76 SOAT1 (0.87) SOAT1

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-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885RAB9A 4712/4885NPC1 124/4885

“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.