SCHEMBL507549

SCHEMBL507549

CC(OC(=O)C1CCCCC1)Sc1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 7/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL2369504 0.99 HTR2A (0.38) HTR2AHTR2CHTR2BLMNASMN1; SMN2
SCHEMBL507548 0.77 HTR2A (0.39) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL2369502 0.76 HTR2A (0.38) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL11948262 0.69 HTR2A (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10229189 0.69 HTR2A (0.49) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10229157 0.68 HTR2A (0.40) HTR2AHTR2CHTR2BLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4398181 0.68 APOBEC3A (0.36) HTR2AHTR2CHTR2BLMNAPNMT
Hydrochloric Acid SCHEMBL508195 0.68 HTR2A (0.48) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10476355 0.68 HTR2B (0.48) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10476177 0.68 HTR2B (0.48) 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-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

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 HTR2A 4/4885HTR2C 1/4885HTR2B 12/4885

“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.