SCHEMBL26375593

SCHEMBL26375593

CC(C)CCC(=O)N1CCC(CC(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.41
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CACNA1B Q00975 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12197910 0.86 NPC1 (0.67) NPC1ALDH1A1MEN1POLBMAPT
SCHEMBL3315105 0.85 NPC1 (0.43) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL12536206 0.82 ALDH1A1 (0.43) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL12876362 0.82 EPHX2 (0.46) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL12015005 0.82 NPC1 (0.47) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL18232473 0.81 CPN1 (0.47) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL22874723 0.81 NPC1 (0.46) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL4150889 0.81 GNAI3 (0.57) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL20233003 0.80 NPC1 (0.42) NPC1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL13747823 0.80 IRAK4 (0.42) NPC1ALDH1A1MEN1MAPTKMT2A

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-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 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-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS RAB1A, SOS1, IQGAP1 NPC1 19/4885ALDH1A1 2378/4885GNAI3 82/4885

“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.