SCHEMBL8433299

SCHEMBL8433299

CC(c1ccc(C#N)cc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP19A1 P11511 1/20 0.43
EPHX1 P07099 2/20 0.42
SLC6A3 Q01959 5/20 0.41
HRH3 Q9Y5N1 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
GRIA4 P48058 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL26911946 0.88 MAOA (0.41) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL26912077 0.88 MAOA (0.41) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL16191119 0.79 SMN1; SMN2 (0.47) NPC1RAB9AEPHX1SLC6A3MEN1
SCHEMBL2579000 0.79 EPHX1 (0.47) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL507034 0.79 DHODH (0.50) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL11449893 0.78 TSHR (0.44) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL9359031 0.78 HRH3 (0.36) TSHRMAOAMAOBCYP19A1HRH3
SCHEMBL16191084 0.77 MEN1 (0.42) TSHRNPC1RAB9AEPHX1SLC6A3
SCHEMBL12012341 0.77 GRIA2 (0.49) HRH3GRIA4
SCHEMBL19194749 0.76 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4

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 3 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
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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A TSHR 143/4885MAOA 170/4885MAOB 194/4885

“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.