SCHEMBL4136188

SCHEMBL4136188

O=C(NC1CC1)c1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.50
ERN1 O75460 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
USP30 Q70CQ3 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SMYD3 Q9H7B4 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 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
SCHEMBL4133418 0.88 L3MBTL3 (0.51) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4144854 0.87 HRH3 (0.52) NPC1RAB9ASMN1; SMN2SMYD3ALDH1A1
SCHEMBL4140118 0.84 TDP2 (0.45) ERN1HRH3L3MBTL1
SCHEMBL4140115 0.84 TDP2 (0.45) ERN1HRH3L3MBTL1
SCHEMBL4128788 0.84 HRH3 (0.49) NPC1RAB9AHRH3L3MBTL1
SCHEMBL4144270 0.84 TDP2 (0.45) ERN1HRH3L3MBTL1
SCHEMBL4129127 0.84 PRKD1 (0.46) ERN1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4144841 0.83 KCNH2 (0.48) MAPK14NPC1RAB9ASMN1; SMN2SMYD3
SCHEMBL4131350 0.83 KMT2A (0.47) MAPK14ERN1SMN1; SMN2MEN1KMT2A
Formaldehyde SCHEMBL4135580 0.83 PRKD1 (0.45) ERN1NPC1RAB9ASMN1; SMN2HTT

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US disclosed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 MAPK14 2950/4885ERN1 4493/4885DRD2 197/4885

“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.