SCHEMBL3765718

SCHEMBL3765718

CC1CN(C(=O)OC(C)(C)C)CCN1c1nc(-c2ccccc2)ns1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ABCB1 P08183 1/20 0.50
USP30 Q70CQ3 2/20 0.49
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
PBRM1 Q86U86 1/20 0.48
FAAH O00519 12/20 0.47
HPGDS O60760 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL3761077 0.86 NPC1 (0.52) NPC1RAB9AFAAHCNR2
SCHEMBL3768360 0.84 NPC1 (0.70) NPC1RAB9AFAAH
SCHEMBL928414 0.81 NPC1 (0.54) NPC1RAB9AUSP30FAAHCNR2
SCHEMBL28515199 0.78 GPR119 (0.55) ABCB1USP30SMARCA2SMARCA4PBRM1
SCHEMBL20129677 0.78 GPR119 (0.55) ABCB1USP30SMARCA2SMARCA4PBRM1
SCHEMBL20129676 0.78 GPR119 (0.55) ABCB1USP30SMARCA2SMARCA4PBRM1
SCHEMBL8104274 0.77 GPR119 (0.58) NPC1RAB9AABCB1USP30SMARCA2
SCHEMBL27711569 0.77 NPC1 (0.60) NPC1RAB9AUSP30FAAHCNR2
SCHEMBL16933528 0.76 ABCB1 (0.56) ABCB1USP30SMARCA2SMARCA4PBRM1
SCHEMBL16933529 0.76 ABCB1 (0.56) ABCB1USP30SMARCA2SMARCA4PBRM1

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 NPC1 1078/4885RAB9A 1416/4885ABCB1 3387/4885

“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.