SCHEMBL6759261

SCHEMBL6759261

Cc1cccc2nc(C3CCCCC3)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ADORA1 P30542 8/20 0.46
ADORA3 P0DMS8 7/20 0.46
ADORA2A P29274 5/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
ADORA2B P29275 2/20 0.44
TSPO P30536 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6757234 0.98 NPC1 (0.50) NPC1RAB9AADORA1ADORA3ADORA2A
SCHEMBL4374777 0.92 NPC1 (0.42) NPC1RAB9AADORA1ADORA3ADORA2A
SCHEMBL7964868 0.86 HTR2C (0.47) NPC1RAB9AADORA1ADORA3ADORA2A
SCHEMBL6756280 0.81 NPC1 (0.56) NPC1RAB9AADORA1ADORA3ADORA2A
SCHEMBL23105419 0.78 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BTSPO
SCHEMBL15453058 0.78 SCN10A (0.49)
SCHEMBL16809165 0.75 CDC7 (0.42) NPC1RAB9ACYP2D6
SCHEMBL12849696 0.75 KDM4E (0.36) KDM4E
Hydrochloric Acid SCHEMBL16778480 0.74 CDC7 (0.43) NPC1RAB9ACYP2D6
SCHEMBL724921 0.73 NPC1 (0.62) NPC1RAB9AKDM4EMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 NPC1 2983/4885RAB9A 2622/4885ADORA1 3099/4885

“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.