SCHEMBL2585769

SCHEMBL2585769

CC1CC1C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 3/20 0.54
EPHX2 P34913 1/20 0.50
EPHX1 P07099 1/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
PGR P06401 2/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL2585771 1.00 MAPT (0.60) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13696943 0.80 NPC1 (0.68) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL366880 0.79 TRPM8 (0.69) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2628648 0.79 TRPM8 (0.69) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19711817 0.78 NPC1 (0.66) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL889041 0.78 KMT2A (0.66) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23992767 0.78 SMN1; SMN2 (0.81) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18214318 0.78 SMN1; SMN2 (0.81) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL728680 0.77 ALDH1A1 (0.85) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1167077 0.77 DGAT1 (0.49) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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 6 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
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP 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
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A MAPT 4626/4885MEN1 4387/4885KMT2A 1221/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A MAPT 4626/4885MEN1 4387/4885KMT2A 1221/4885

“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.