SCHEMBL506348

SCHEMBL506348

O=C(C1CCc2c(ccc(Cl)c2OCc2cncs2)CN1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.36
HTT P42858 2/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5732147 0.78 SCN3A (0.30)
SCHEMBL506865 0.76 ESR1 (0.42) NMT1HTTPARP15PARP10LMNA
SCHEMBL5764333 0.74 DRD2 (0.30)
SCHEMBL10227504 0.72 NMT1 (0.48) NMT1HTTPARP15PARP10LMNA
Hydrochloric Acid SCHEMBL507254 0.71 NMT1 (0.48) NMT1HTTPARP15PARP10LMNA
SCHEMBL5787122 0.67 HPD (0.39) HTTLMNA
SCHEMBL5763530 0.67 CYP1A2 (0.34)
SCHEMBL23315269 0.67 AGTR2 (0.41) PARP15PARP10NPC1RAB9ATDP1
SCHEMBL21881193 0.67 AGTR2 (0.41) PARP15PARP10NPC1RAB9ATDP1
SCHEMBL5732501 0.66 DRD2 (0.33)

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
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
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

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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NMT1 3747/4885HTT 581/4885PARP15 1574/4885

“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.