SCHEMBL18751632

SCHEMBL18751632

c1ccc(C2CCCCN2CCN2CCCCC2c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNA7 P36544 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CFB P00751 2/20 0.48
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL4714894 0.90 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL6064054 0.90 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4318786 0.90 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL11860669 0.87 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7797276 0.87 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL6798137 0.85 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7965310 0.85 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL28309573 0.85 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL22473185 0.85 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL20524551 0.85 CHRNB2 (0.49) 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-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS CHRNB2 3485/4885CHRNA7 2561/4885CHRNA4 1426/4885

“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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