SCHEMBL8433294

SCHEMBL8433294

N#Cc1ccc(CCC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CYP19A1 P11511 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSC P53634 1/20 0.40
DAO P14920 1/20 0.39
HSD11B1 P28845 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
SCHEMBL10479940 0.97 MAOA (0.57) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL10479942 0.97 MAOA (0.57) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL23588057 0.91 MAOB (0.65) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL11249312 0.90 MAOA (0.50) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL8456405 0.88 MAOA (0.49) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL24358834 0.88 MAOB (0.55) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL24358781 0.88 MAOB (0.55) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL12807811 0.84 HRH3 (0.59) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL9186117 0.84 MAOB (0.58) MAOAMAOBKCNJ1KCNH2HRH3
SCHEMBL10341709 0.83 MAOB (0.57) MAOAMAOBKCNJ1KCNH2HRH3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802730-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-04-19 EP disclosed
US-20220119711-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
EP-3529332-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
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
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A MAOA 327/4885MAOB 380/4885KCNJ1 1893/4885

“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.