SCHEMBL10238795

SCHEMBL10238795

Cc1cc2c(cn1)C(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.57
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNA2 Q15822 1/20 0.35
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ DRD1 P21728 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL6845140 1.00 CHRNA7 (0.57) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL23207625 0.89 CHRNA7 (0.50) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL10238796 0.85 CHRNA7 (0.45) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL27894710 0.79 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL6845118 0.79 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL29649333 0.79 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
Hydrochloric Acid SCHEMBL12983298 0.78 CHRNA7 (0.54) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
Hydrochloric Acid SCHEMBL12983296 0.78 CHRNA7 (0.54) CHRNA7CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL16692272 0.74 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4UHRF1
SCHEMBL14525626 0.72 CHRNA7 (0.44) CHRNA7UHRF1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 — — US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 — — US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 — — US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 — — 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CHRNA7 3011/4885CHRNB2 4215/4885CHRNB4 4311/4885
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CHRNA7 2135/4885CHRNB2 2627/4885CHRNB4 3036/4885

“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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