SCHEMBL6048564

SCHEMBL6048564

COc1ccc(-c2ccccc2CCN(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.55
HTR2A P28223 3/20 0.48
TAAR1 Q96RJ0 3/20 0.46
DRD2 P14416 1/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
AOC3 Q16853 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NOS1 P29475 1/20 0.42

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
Hydrochloric Acid SCHEMBL6770600 0.99 HTR7 (0.53) HTR7HTR2ATAAR1DRD2HTR1A
SCHEMBL6048513 0.87 HTR7 (0.55) HTR7HTR2ATAAR1DRD2HTR1A
Hydrochloric Acid SCHEMBL6048617 0.86 HTR7 (0.54) HTR7HTR2ATAAR1DRD2HTR1A
Hydrochloric Acid SCHEMBL6048488 0.86 HTR7 (0.54) HTR7HTR2ATAAR1DRD2HTR1A
SCHEMBL2096587 0.82 ABCB1 (0.44) HTR7MEN1KMT2A
SCHEMBL23638842 0.81 ABCB1 (0.61) CYP1A2CYP3A4CYP2D6
SCHEMBL30451526 0.81 ABCB1 (0.61) CYP1A2CYP3A4CYP2D6
SCHEMBL9289360 0.80 L3MBTL1 (0.50) HTR7MEN1KMT2A
SCHEMBL6048510 0.79 HTR2A (0.56) HTR7HTR2ATAAR1HTR1AHTR1D
SCHEMBL5306327 0.79 TAAR1 (0.46) TAAR1MEN1KMT2A

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
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP claimed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US disclosed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 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-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives LIPA, PKD1, PKD2 HTR7 501/4885HTR2A 615/4885TAAR1 3902/4885

“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.