SCHEMBL10274969

SCHEMBL10274969

O=C1c2ccccc2C(=O)N1CCCSc1c(Cl)ccc2c1CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10277768 0.93 NPC1 (0.47) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL10229240 0.87 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19TSHRPOLB
Trifluoroacetic Acid SCHEMBL506997 0.79 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL507235 0.78 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL10274971 0.75 PNMT (0.35)
SCHEMBL10229348 0.73 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19TSHRPOLB
Hydrochloric Acid SCHEMBL2369887 0.73 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL10277690 0.72 SLC6A3 (0.37)
SCHEMBL10229255 0.71 ESR2 (0.40) TSHRALDH1A1HPGD
SCHEMBL10230411 0.70 HTR7 (0.43) HTR1AHTR7DRD3

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
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP1A2 348/4885CYP2D6 567/4885CYP2C19 275/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP1A2 239/4885CYP2D6 264/4885CYP2C19 164/4885

“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.