SCHEMBL4940639

SCHEMBL4940639

CCCCCCCN[C@@H]1c2cc3nc(C)cc(C)c3cc2OC(C)(C)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
ABCB1 P08183 5/20 0.33
GBA1 P04062 5/20 0.32
ABCC9 O60706 2/20 0.32
GLB1 P16278 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
DNM2 P50570 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
SCHEMBL4940634 1.00 IDO1 (0.38) IDO1ABCB1GBA1ABCC9GLB1
SCHEMBL2877822 0.89 IDO1 (0.37) IDO1ABCB1ABCC9
Hydrochloric Acid SCHEMBL2873712 0.88 IDO1 (0.37) IDO1ABCB1ABCC9
SCHEMBL2011038 0.82 ABCB1 (0.44) IDO1ABCB1ABCC9
SCHEMBL12580635 0.79 IDO1 (0.40) IDO1ABCB1GBA1ABCC9
Hydrochloric Acid SCHEMBL2883645 0.78 IDO1 (0.39) IDO1ABCB1GBA1ABCC9GLB1
Hydrochloric Acid SCHEMBL2883647 0.78 IDO1 (0.39) IDO1ABCB1GBA1ABCC9GLB1
SCHEMBL2873106 0.77 ABCC9 (0.37) ABCB1ABCC9
SCHEMBL2014393 0.77 ABCC9 (0.37) ABCB1ABCC9
SCHEMBL2875990 0.76 IDO1 (0.42) IDO1ABCB1GBA1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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 (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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A IDO1 3364/4885ABCB1 580/4885GBA1 4231/4885

“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.