SCHEMBL6163340

SCHEMBL6163340

CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.37
AR P10275 4/20 0.35
MAPT P10636 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ACACB O00763 1/20 0.34
KDR P35968 2/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
SRPK2 P78362 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
SRPK3 Q9UPE1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6165622 0.98 SCN10A (0.39) SCN10AARMAPTTAAR1ACACB
SCHEMBL6435489 0.93 THRB (0.41) MAPTJAK3SMN1; SMN2NPSR1THRB
SCHEMBL6435938 0.93 KDR (0.34) SCN10AARACACBKDRJAK3
SCHEMBL6608517 0.89 SCN10A (0.40) SCN10AMAPTTAAR1ACACBKDR
SCHEMBL6165337 0.89 MAPT (0.37) SCN10AMAPTJAK3BTKNPSR1
SCHEMBL6167518 0.89 JAK3 (0.38) SCN10AJAK3BTK
SCHEMBL6612631 0.88 SCN10A (0.42) SCN10AMAPTTAAR1KDRSRPK2
SCHEMBL6435476 0.87 KDR (0.36) ARKDRAAK1
SCHEMBL6434527 0.85 AAK1 (0.38) ARKDRAAK1
SCHEMBL6163857 0.84 AAK1 (0.40) KDRAAK1

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 SCN10A 597/4885AR 2564/4885MAPT 1155/4885

“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.