SCHEMBL10150982

SCHEMBL10150982

CC(C)c1cccc(CC2CC2C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
ADORA2A P29274 1/20 0.33
MCHR1 Q99705 1/20 0.32
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
F2R P25116 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 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
SCHEMBL10121258 0.84 CHRNA7 (0.34) CHRNA7ADORA2A
SCHEMBL10155111 0.81 KDM1A (0.44) MCHR1NOS1NOS3KDM1AMAOA
SCHEMBL22361447 0.76 MCHR1 (0.36) MCHR1NOS1NOS3KDM1AMAOA
SCHEMBL4051420 0.74 CCR1 (0.40) CHRNA7ADORA2ANOS1
SCHEMBL23106908 0.74 CCNT1 (0.34) CHRNA7ADORA2A
SCHEMBL1581851 0.72 KCNH2 (0.36) CHRNA7ADORA2ANOS1
SCHEMBL31481285 0.72 KCNH2 (0.36) CHRNA7ADORA2ANOS1
SCHEMBL17828026 0.72 ADORA2A (0.43) ADORA2ANOS1KDM1AMAOAMAOB
SCHEMBL20281655 0.71 HRH4 (0.39)
SCHEMBL3511384 0.71 IRAK4 (0.39) CHRNA7ADORA2ANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRNA7 4768/4885ADORA2A 1879/4885MCHR1 4819/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRNA7 4756/4885ADORA2A 745/4885MCHR1 4608/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRNA7 4768/4885ADORA2A 1879/4885MCHR1 4819/4885

“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.