SCHEMBL6048477

SCHEMBL6048477

COc1ccc(OC)c(-c2ccccc2CN(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.57
SLC6A4 P31645 5/20 0.55
SLC6A2 P23975 4/20 0.55
SLC6A3 Q01959 4/20 0.55
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2D6 P10635 5/20 0.54
CYP2C19 P33261 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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 SCHEMBL6048559 0.98 HTR7 (0.56) HTR7SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL6048549 0.84 HTR7 (0.63) HTR7SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL9285065 0.83 HDAC4 (0.59) KDM4EMAPTHDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL6048539 0.82 HTR7 (0.61) HTR7SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL28259732 0.80 HDAC4 (0.52) HTR7KDM4EHDAC4HDAC2HDAC8
SCHEMBL16109474 0.78 HDAC4 (0.65) HTR7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6048529 0.77 BACE1 (0.58) HTR7SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL196223 0.76 CA12 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6048554 0.76 BACE1 (0.57) HTR7SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL7602457 0.75 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4

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 8 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 claimed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US claimed
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP disclosed
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
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP disclosed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 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-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives LIPA, PKD1, PKD2 HTR7 501/4885SLC6A4 1586/4885SLC6A2 1499/4885

“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.