SCHEMBL10025840

SCHEMBL10025840

c1cnc2cc3c(cc2c1)[C@H]1CCC[C@@H]3C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA5 P30532 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ CHRND Q07001 1/20 0.42
▸ CHRNA2 Q15822 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL4960851 0.82 CHRNB2 (0.67) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL2616761 0.80 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL13561408 0.80 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1ESR1CHRNG
SCHEMBL16582868 0.74 LMNA (0.45) CCNE1CDK2CDK5HTTMEN1
SCHEMBL17672031 0.71 BACE1 (0.55) CHRNA7NPC1POLBRAB9ACCNE1
SCHEMBL22288192 0.71 ALDH1A1 (0.49) CHRNA7ALDH1A1CASP1HTTMEN1
SCHEMBL150476 0.71 NPC1 (0.65) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL29350099 0.71 NPC1 (0.65) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL11460811 0.70 BACE1 (0.58) CHRNA7NPC1POLBRAB9ACCNE1
SCHEMBL4971125 0.70 BACE1 (0.50) CHRNA7ALDH1A1CASP1HTTMEN1

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
US-8178537-B2 Solid state forms of varenicline salts and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-05-15 — — US disclosed
US-20100324055-A1 SOLID STATES FORMS OF VARENICLINE SALTS AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-12-23 — — 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-20100324055-A1 SOLID STATES FORMS OF VARENICLINE SALTS AND PROCESSES FOR PREPARATION THEREOF SPIN2B, CACNA1S, VARS1 CHRNB4 155/4885CHRNA3 87/4885CHRNA1 42/4885

“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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