SCHEMBL4293095

SCHEMBL4293095

CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 1/20 0.44
NR3C2 P08235 1/20 0.44
P2RX3 P56373 1/20 0.44
CNR1 P21554 1/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL3991944 0.93 GRM5 (0.58) GRM5RAB9AMEN1NPC1GAA
SCHEMBL5119964 0.86 NPC1 (0.55) GRM5RAB9AMEN1NPC1GAA
SCHEMBL3986152 0.86 GRM5 (0.56) GRM5RAB9ANPC1BRAFNR3C2
SCHEMBL4115551 0.84 BRAF (0.50) GRM5RAB9ANPC1BRAFNR3C2
SCHEMBL3994618 0.84 RAF1 (0.54) GRM5SMN1; SMN2BRAFTRPV1
SCHEMBL14273320 0.84 RAB9A (0.47) RAB9AMEN1NPC1GAAKMT2A
SCHEMBL14266535 0.83 BRAF (0.54) GRM5RAB9AMEN1NPC1GAA
SCHEMBL3984127 0.83 GPR52 (0.52) GRM5BRAFNR3C2
SCHEMBL3986272 0.83 NR3C2 (0.45) GRM5BRAFNR3C2CA1CA2
SCHEMBL5115943 0.82 BRAF (0.44) GRM5BRAFNR3C2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 GRM5 830/4885RAB9A 1730/4885MEN1 1953/4885

“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.