SCHEMBL12296161

SCHEMBL12296161

Clc1ccc2c(c1-c1nccs1)CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.50
HTR2C P28335 15/20 0.50
HTR2B P41595 13/20 0.50
PNMT P11086 4/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14091672 0.75 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10274765 0.74 HTR2C (0.53) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL3961610 0.74 HTR2A (0.49) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10229393 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3961292 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12361275 0.73 HTR2A (0.44) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10227503 0.73 NMT1 (0.48) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL2254092 0.72 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL506179 0.72 NMT1 (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL507203 0.72 HTR2B (0.43) HTR2AHTR2CHTR2BPNMTADRA2A

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-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTR2A 4/4885HTR2C 1/4885HTR2B 6/4885

“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.