SCHEMBL17114331

SCHEMBL17114331

Cc1ccc([C@H]2CCCCN2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
MKNK1 Q9BUB5 1/20 0.43
CHRM2 P08172 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
AURKA O14965 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
SCHEMBL17114332 1.00 L3MBTL1 (0.47) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL3333762 0.95 L3MBTL1 (0.53) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL2708051 0.85 L3MBTL1 (0.44) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL2707310 0.85 L3MBTL1 (0.44) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL24752770 0.85 L3MBTL1 (0.44) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL24366094 0.85 L3MBTL1 (0.44) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL17782307 0.80 PRKAB2 (0.45) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL17782308 0.80 PRKAB2 (0.45) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL3717223 0.79 MEN1 (0.51) L3MBTL1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL6181684 0.79 L3MBTL1 (0.49) L3MBTL1CYP2D6CHRNB2CHRNA7CHRNA4

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-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
EP-3122725-A1 SYNTHETIC PROCESS The University of Liverpool (GB) 2017-02-01 EP disclosed
WO-2015145143-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2015-10-01 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS L3MBTL1 4718/4885MEN1 2575/4885CYP2D6 111/4885

“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.