SCHEMBL10230348

SCHEMBL10230348

O=C(c1ccncc1)c1ccc(CSc2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 5/20 0.39
CCR9 P51686 1/20 0.35
GSK3B P49841 2/20 0.34
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 4/20 0.33
LTA4H P09960 1/20 0.33
GSK3A P49840 1/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32

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 SCHEMBL2369537 0.99 HTR2A (0.39) HTR2AHTR2CHTR2BCCR9GSK3B
SCHEMBL10228975 0.89 HTR2C (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL507924 0.89 ALDH1A1 (0.44) HTR2AHTR2CHTR2BLMNAHPGD
Hydrochloric Acid SCHEMBL508265 0.88 HTR2C (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL507743 0.88 ALDH1A1 (0.43) HTR2AHTR2CHTR2BLMNAHPGD
SCHEMBL10228983 0.88 HTR2A (0.48) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL506913 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10230382 0.86 HTR2C (0.41) HTR2AHTR2CHTR2BSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL507925 0.85 HTR2C (0.40) HTR2AHTR2CHTR2BPNMTHPGD
SCHEMBL10476204 0.85 KMT2A (0.39) HTR2AHTR2CHTR2BLMNAHPGD

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 10 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 claimed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP claimed
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-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-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-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-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
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 (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-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
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.