SCHEMBL3587489

SCHEMBL3587489

CN(C)C(c1cccs1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL1326803 0.84 OPRM1 (0.36) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL493784 0.84 OPRM1 (0.36) MAPTOPRM1OPRK1ALOX5
SCHEMBL493322 0.83 OPRM1 (0.36) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL1326507 0.80 OPRM1 (0.37) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL493263 0.80 OPRM1 (0.37) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL493305 0.80 OPRM1 (0.34) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL493361 0.79 OPRM1 (0.34) MAPTOPRM1OPRK1HTTALOX5
SCHEMBL493415 0.78 OPRM1 (0.35) L3MBTL1RAB9AALDH1A1NPC1MEN1
SCHEMBL493614 0.78 KDM4E (0.36) L3MBTL1ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL644429 0.78 OPRM1 (0.45) MAPTRAB9AALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 MAPT 625/4885L3MBTL1 3010/4885RAB9A 1492/4885

“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.