SCHEMBL18776641

SCHEMBL18776641

[2H]C(O)(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.64
HTR1A P08908 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
PER2 O15055 1/20 0.45
CRY2 Q49AN0 1/20 0.45
ACHE P22303 1/20 0.44
HTR7 P34969 2/20 0.41
SCN1A P35498 3/20 0.41
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
GRIN1 Q05586 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
SCHEMBL5251280 0.92 HTR2A (0.67) HTR2AHTR1ATMEM97PER2CRY2
SCHEMBL5251275 0.92 HTR2A (0.67) HTR2AHTR1ATMEM97PER2CRY2
Hydrochloric Acid SCHEMBL5248235 0.91 HTR2A (0.66) HTR2AHTR1ATMEM97PER2CRY2
Hydrochloric Acid SCHEMBL5248229 0.91 HTR2A (0.66) HTR2AHTR1ATMEM97PER2CRY2
SCHEMBL17335753 0.83 HTR1A (0.57) HTR2AHTR1ATMEM97ACHESCN1A
SCHEMBL5255967 0.82 HTR1A (0.53) HTR2AHTR1ATMEM97PER2CRY2
SCHEMBL5255966 0.82 HTR1A (0.53) HTR2AHTR1ATMEM97PER2CRY2
Hydrochloric Acid SCHEMBL5253393 0.81 HTR1A (0.52) HTR2AHTR1ATMEM97PER2CRY2
Hydrochloric Acid SCHEMBL5253389 0.81 HTR1A (0.52) HTR2AHTR1ATMEM97PER2CRY2
SCHEMBL5656314 0.80 HTR2A (0.70) HTR2AHTR1ATMEM97ACHEPARP1

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-20170114037-A1 COMPOUNDS AND METHODS OF USE TO TREAT SCHIZOPHRENIA INTRA-CELLULAR THERAPIES, INC. (US) 2017-04-27 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-20170114037-A1 COMPOUNDS AND METHODS OF USE TO TREAT SCHIZOPHRENIA SIGMAR1, GRIN2C, OPRL1 HTR2A 78/4885HTR1A 66/4885TMEM97 39/4885

“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.