SCHEMBL4963018

SCHEMBL4963018

C#CCCCC(C)(C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ACLY P53396 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
TBXAS1 P24557 1/20 0.30
CYP3A4 P08684 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL11940662 0.83 ACLY (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15340969 0.78 ACLY (0.39) MAPTCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL9216534 0.78 CYP4F2 (0.37) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3075311 0.76 HSD17B10 (0.34) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9324197 0.76 ACLY (0.48) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL601002 0.75 ARG1 (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL600647 0.75 ARG1 (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL600648 0.75 ARG1 (0.52) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9256362 0.74 CYP2D6 (0.43) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL232206 0.72 KDM4E (0.36) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1

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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A MAPT 4139/4885CYP1A2 181/4885CYP2D6 340/4885

“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.