SCHEMBL16692272

SCHEMBL16692272

Cc1cc2c(cn1)CCCC2C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.40
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ UHRF1 Q96T88 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL10238796 0.89 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4UHRF1
SCHEMBL23207625 0.86 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4UHRF1NPC1
SCHEMBL19524970 0.82 HTR2A (0.33) CHRNA7NOS3NOS1NOS2CHRNB2
SCHEMBL19524957 0.81 NOS3 (0.52) NOS3NOS1NOS2CHRNB2CHRNA4
SCHEMBL19524994 0.78 HRH3 (0.31) NOS3NOS1NOS2
SCHEMBL10238795 0.74 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4UHRF1
SCHEMBL6845140 0.74 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4UHRF1
SCHEMBL16692314 0.73 CHRNA7 (0.33) CHRNA7CHRNB2CHRNA4
SCHEMBL29792600 0.73 CHRNA7 (0.44) CHRNA7UHRF1
SCHEMBL23088396 0.73 CHRNA7 (0.44) CHRNA7UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846794-B1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-01 — — EP disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 — — 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-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA CHRNA7 1912/4885NOS3 2794/4885NOS1 3208/4885

“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.

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