SCHEMBL2586609

SCHEMBL2586609

O=C(Cc1ccc(CNc2c(Cl)ccc3c2CCCCN3)cc1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PARP1 P09874 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX1 P07099 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NOTUM Q6P988 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MERTK Q12866 2/20 0.31
LMNA P02545 1/20 0.31

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
Succinic Acid SCHEMBL5757273 0.84 HRH3 (0.36) PARP1HDAC6PDE4BPDE4DALDH1A1
SCHEMBL2585131 0.82 HTR2A (0.38) POLBNPC1RAB9AEPHX1HDAC6
Cadaverine Tartrate SCHEMBL13685398 0.77 HTR2A (0.33) POLBNPC1RAB9AEPHX1
Succinic Acid SCHEMBL5729110 0.76 FFAR1 (0.32)
SCHEMBL4661297 0.75 CA1 (0.36) CDK1CDK2MAPK1GSK3AGSK3B
SCHEMBL2580046 0.73 ESR1 (0.37) POLBHDAC6
SCHEMBL5763645 0.73 ALDH1A1 (0.33) POLBHDAC6ALDH1A1LMNA
SCHEMBL5767548 0.71 RAB9A (0.33) POLBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL507315 0.70 HTR2A (0.38) HDAC6ALDH1A1LMNA
SCHEMBL13685321 0.69 PTPN1 (0.43) NPC1RAB9AALDH1A1LMNA

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-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A POLB 4620/4885CDK1 2231/4885CDK2 2505/4885

“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.