SCHEMBL13096520

SCHEMBL13096520

CN1CCCCC1c1ccc(CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.54
▸ CHRNA7 P36544 2/20 0.54
▸ CHRNA4 P43681 2/20 0.54
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CFB P00751 1/20 0.49
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL19539601 0.95 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL674978 0.83 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL11444309 0.83 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7738292 0.83 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL24310101 0.81 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7738331 0.81 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL16130801 0.80 CYP19A1 (0.47) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3663312 0.80 CFB (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL19865697 0.79 CHRNB2 (0.62) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13452380 0.79 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — 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 (2 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-20100273753-A1 ORGANIC COMPOUNDS OPRD1, PGR, HTR1D CHRNB2 66/4885CHRNA7 64/4885CHRNA4 75/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 CHRNB2 64/4885CHRNA7 51/4885CHRNA4 69/4885

“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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