SCHEMBL105395

SCHEMBL105395

CC(C)CC(C)(C)N1CCCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 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
SCHEMBL9920487 0.98 CYP2B6 (0.33) CYP2B6
SCHEMBL24110438 0.95
SCHEMBL9918376 0.79 ALDH1A1 (0.39)
SCHEMBL20365521 0.76
SCHEMBL24176760 0.75
SCHEMBL18937489 0.74
SCHEMBL21637941 0.74 KCNH2 (0.32)
SCHEMBL24663779 0.73 CYP2B6 (0.34) CYP2B6
SCHEMBL23336586 0.70 CYP2B6 (0.38) CYP2B6
SCHEMBL22871678 0.70 CYP2B6 (0.38) CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226323-A1 QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天津济坤医药科技有限公司 2023-11-30 WO disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US 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 (2 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CYP2B6 2589/4885
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC CYP2B6 563/4885

“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.