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.

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