SCHEMBL2546767

SCHEMBL2546767

OC1CC2CCC1c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC18A3 Q16572 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CA2 P00918 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL13815484 1.00 CHRNB4 (0.40) CHRNB4CHRNA3CYP3A4TSHRCYP2C19
SCHEMBL18544377 0.82 CHRNB4 (0.43) CHRNB4CHRNA3SLC18A3CA2GSR
SCHEMBL23797352 0.78 CHRNB4 (0.59) CHRNB4CHRNA3AKR1C3AKR1C1
SCHEMBL30166929 0.78 CHRNB4 (0.59) CHRNB4CHRNA3AKR1C3AKR1C1
SCHEMBL221689 0.78 CHRNB4 (0.59) CHRNB4CHRNA3AKR1C3AKR1C1
SCHEMBL5070767 0.77 KDM1A (0.48) CYP3A4CYP2C19
SCHEMBL25796871 0.74 CA2 (0.38) CA2GSR
SCHEMBL27053505 0.74 CA2 (0.38) CA2GSR
SCHEMBL12405329 0.74 KDM1A (0.41) CHRNB4CHRNA3CA2GSR
SCHEMBL31389967 0.73 CHRNB4 (0.43) CHRNB4CHRNA3AKR1C3AKR1C1

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
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 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-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1E, CACNA1B, CACNB1 CHRNB4 215/4885CHRNA3 207/4885CYP3A4 524/4885

“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.