SCHEMBL5601428

SCHEMBL5601428

CC(C)COc1ccc(C(Cc2ccc(F)cc2)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
EPHX1 P07099 2/20 0.46
ACACB O00763 3/20 0.45
HTR2A P28223 9/20 0.44
MAOB P27338 1/20 0.44
PARP10 Q53GL7 1/20 0.44
FFAR1 O14842 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GPR183 P32249 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3586614 0.81 CNR1 (0.47) EPHX1ACACBMAOBPARP10FFAR1
SCHEMBL28151669 0.76 EPHX1 (0.77) EPHX1PTGS1CYP1A2CHRM1
SCHEMBL21959089 0.76 EPHX1 (0.57) EPHX1PARP10CYP1A2CYP2C19HTT
SCHEMBL28835702 0.76 EPHX1 (0.77) EPHX1CHRM1CYP2C19
SCHEMBL3273907 0.76 EPHX1 (0.50) MAPTEPHX1HTT
SCHEMBL12306453 0.75 MAPT (0.47) MAPTHTR2AMAOBCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4026086 0.75 EPHX1 (0.49) MAPTEPHX1HTT
Hydrochloric Acid SCHEMBL5102655 0.74 EPHX1 (0.47) EPHX1MAOBPARP10FFAR1
SCHEMBL29026664 0.74 HTR2A (0.53) MAPTHTR2AABCB11CYP1A2ADRB2
SCHEMBL29026663 0.74 HTR2A (0.53) MAPTHTR2AABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2007-12-27 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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION HTR2A, HTR5A, HTR2C MAPT 3008/4885EPHX1 3265/4885ACACB 4804/4885

“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.