SCHEMBL18751630

SCHEMBL18751630

c1ccc(C2CCCCN2C2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
OPRM1 P35372 5/20 0.48
OPRK1 P41145 5/20 0.48
OPRL1 P41146 4/20 0.48
OPRD1 P41143 3/20 0.48
SLC18A3 Q16572 1/20 0.47
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10770079 1.00 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL10764868 0.98 HRH3 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9153287 0.98 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18751629 0.96 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1989282 0.96 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL28558595 0.95 SLC18A3 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17114372 0.94 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13660513 0.94 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13660506 0.93 HRH3 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9153176 0.93 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 3485/4885CHRNB4 2206/4885CHRNA3 2878/4885

“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.