SCHEMBL1320294

SCHEMBL1320294

O=C(O)N1CCC[C@@]1(CO)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL83116 0.95 NPC1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL1190566 0.95 NPC1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL1317731 0.88
SCHEMBL18586370 0.84
SCHEMBL14718566 0.82 DPP4 (0.40) NPC1RAB9A
SCHEMBL10904550 0.81
SCHEMBL10904548 0.81
SCHEMBL80984 0.80 TSHR (0.38)
SCHEMBL29046163 0.80
SCHEMBL27650962 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230081426-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-03-16 US disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
US-20060178359-A1 Tricyclic compound, process for producing the same, and use SYNGENTA CROP PROTECTION AG (CH) 2006-08-10 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 (3 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 NPC1 2700/4885RAB9A 2582/4885SMN1; SMN2 4444/4885
US-20230081426-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR KRAS, NRAS, HRAS NPC1 1605/4885RAB9A 91/4885SMN1; SMN2 1298/4885
US-20060178359-A1 Tricyclic compound, process for producing the same, and use CCR4, CCR5, CCR1 NPC1 577/4885RAB9A 2938/4885SMN1; SMN2 1369/4885

“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.