SCHEMBL5466686

SCHEMBL5466686

Cc1cc(Cl)cnc1N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
HRH4 Q9H3N8 4/20 0.49
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
ADRB1 P08588 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 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
SCHEMBL1736748 0.84 CHRNB2 (0.53) CHRNB2CHRNA4HRH4CHRNA1CHRNA7
SCHEMBL2366129 0.82 TAAR1 (0.47) CHRNB2CHRNA4ADRB1MEN1CYP1A2
SCHEMBL902974 0.81 CHRNB2 (0.54) CHRNB2CHRNA4HRH4CHRNA1CHRNA7
SCHEMBL899662 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HRH4CHRNA1CHRNA7
SCHEMBL9209358 0.81 HTR3E (0.52) CHRNB2CHRNA4HRH4ADRB1
Hydrochloric Acid SCHEMBL2366927 0.81 TAAR1 (0.46) CHRNB2CHRNA4ADRB1MEN1CYP1A2
SCHEMBL22330233 0.79 CHRNB2 (0.46) CHRNB2CHRNA4HRH4ADRB1MEN1
SCHEMBL22322220 0.79 CYP1A2 (0.44) CHRNB2CHRNA4HRH4ADRB1MEN1
SCHEMBL2366907 0.79 HRH4 (0.48) CHRNB2CHRNA4HRH4ADRB1MEN1
SCHEMBL12327620 0.79 OPRK1 (0.41) CHRNB2CHRNA4HRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
WO-2006106423-A2 AMINO SULFONYL DERIVATIVES AS INHIBITORS OF HUMAN 11-.BETA.-HYDROSYSTEROID DEHYDROGENASE PFIZER INC. (US) 2006-10-12 WO 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-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 CHRNB2 3552/4885CHRNA4 3535/4885HRH4 1053/4885

“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.