SCHEMBL5601436

SCHEMBL5601436

CC(C)COc1ccc(CC(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
LMNA P02545 5/20 0.62
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.59
HTR2A P28223 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRB2 P07550 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
GPR183 P32249 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL28290754 0.88 HTR2A (0.59) KMT2ALMNAHPGDGAAHTR2A
SCHEMBL20794904 0.84 LMNA (0.65) KMT2ALMNAALDH1A1HPGDRAB9A
SCHEMBL31202869 0.81 HTR2A (0.67) KMT2AHTR2AABCB11CYP1A2ADRB2
SCHEMBL29026663 0.80 HTR2A (0.53) KMT2AHPGDGAAHTR2AABCB11
SCHEMBL29026664 0.80 HTR2A (0.53) KMT2AHPGDGAAHTR2AABCB11
SCHEMBL8219973 0.80 MAPT (0.64) KMT2AALDH1A1HPGDRAB9AHTR2A
SCHEMBL20766915 0.80 NPC1 (0.59) KMT2ALMNAHTR2AABCB11CYP1A2
SCHEMBL18398515 0.79 MAPT (0.67) KMT2AALDH1A1HPGDRAB9AHTR2A
SCHEMBL19845882 0.79 HDAC6 (0.65) KMT2ALMNASMN1; SMN2CYP1A2ADRB2
SCHEMBL20404372 0.79 ACACB (0.64) KMT2AALDH1A1HPGDRAB9AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
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 KMT2A 364/4885LMNA 1965/4885ALDH1A1 463/4885

“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.