SCHEMBL140204

SCHEMBL140204

NC1(c2ccc3[nH]ccc3n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
AHR P35869 1/20 0.32
ADK P55263 1/20 0.32
MAOB P27338 2/20 0.31
CYP2A6 P11509 2/20 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
SCHEMBL2390701 0.73 AXL (0.37) CYP2A6
SCHEMBL7007696 0.69 BACE1 (0.41) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL22127183 0.68 NCF1 (0.47)
Hydrochloric Acid SCHEMBL31715595 0.67 BACE1 (0.40) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL19925316 0.66 MAOB (0.40) MAOB
SCHEMBL30540624 0.66 MAOB (0.40) MAOB
SCHEMBL23625710 0.65 APP (0.44) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL3096846 0.65 MAOB (0.36) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL421423 0.65 AHR (0.43) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL7016588 0.65 USP2 (0.43) TRPA1CA1CA2ITGB2ICAM1

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
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP disclosed
CN-102892767-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO (US) 2013-01-23 CN disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 TRPA1 4687/4885CA1 4243/4885CA2 4286/4885

“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.