SCHEMBL10229342

SCHEMBL10229342

CCOC(=O)CCCSc1c(Br)ccc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
TNF P01375 1/20 0.34
ALDH1A1 P00352 3/20 0.32
NAMPT P43490 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GAA P10253 2/20 0.32
ALOX5 P09917 1/20 0.32
NOTUM Q6P988 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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 SCHEMBL506984 0.99 HTR2A (0.38) HTR2AHTR2CHTR2BHPGDMAPT
SCHEMBL10229336 0.84 HTR2A (0.40) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL508156 0.83 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL10229175 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BMAPTALDH1A1
Hydrochloric Acid SCHEMBL507015 0.75 HTR2A (0.41) HTR2AHTR2CHTR2BMAPTALDH1A1
Hydrochloric Acid SCHEMBL507225 0.72 HTR2A (0.40) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL10229237 0.71 HTR2A (0.42) HTR2AHTR2CHTR2BOPRM1
Hydrochloric Acid SCHEMBL506944 0.70 HTR2A (0.41) HTR2AHTR2CHTR2BOPRM1
SCHEMBL10229348 0.70 CYP1A2 (0.47) HTR2AHTR2CHTR2BHPGDALDH1A1
SCHEMBL10274909 0.69 HTR2A (0.42) HTR2AHTR2CHTR2BNAMPTCYP1A2

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 9 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-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
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 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.