SCHEMBL10274863

SCHEMBL10274863

FC(F)(F)c1cc(CSc2c(Cl)cc(Cl)c3c2CCNCC3)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TACR1 P25103 9/20 0.34
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
ADRB1 P08588 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
TOP2A P11388 1/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 1/20 0.31
HTR2A P28223 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 SCHEMBL507572 0.99 PNMT (0.37) PNMTTSHRCYP3A4CYP2D6TACR1
SCHEMBL10228958 0.92 PNMT (0.34) PNMTTSHRCYP3A4CYP2D6TACR1
SCHEMBL10476220 0.84 HTR2C (0.43) PNMTTSHRTACR1HTR2CHTR2B
Hydrochloric Acid SCHEMBL10476108 0.83 HTR2C (0.43) PNMTTSHRTACR1HTR2CHTR2B
SCHEMBL10228949 0.82 PNMT (0.40) PNMTHTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL507296 0.78 PNMT (0.33) PNMT
SCHEMBL10228945 0.76 HPGD (0.41) PNMTHTR2CHTR2BTP53HTR2A
Trifluoroacetic Acid SCHEMBL507221 0.73 HPGD (0.37) TSHRHTR2CTP53HTR2A
SCHEMBL10476134 0.70 MLYCD (0.47) CYP3A4CYP2D6TACR1HTR2CHTR2B
SCHEMBL10229186 0.70 PNMT (0.44) PNMTTSHRHTR2CHTR2BHTR2A

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 7 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
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-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 PNMT 460/4885TSHR 170/4885CYP3A4 613/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PNMT 421/4885TSHR 143/4885CYP3A4 361/4885

“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.