SCHEMBL507473

SCHEMBL507473

O=C(N1CCc2ccc(Cl)c(NCc3ccc4nc(C5CCCCC5)sc4c3)c2CC1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
PDE5A O76074 3/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL507671 0.81 ESR1 (0.38) MAPTKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL10228316 0.81 CSF1R (0.38) UBE2MDCUN1D1TP53KMT2AMEN1
Succinic Acid SCHEMBL507717 0.80 P2RX3 (0.37) UBE2MDCUN1D1TP53KMT2AMEN1
SCHEMBL508213 0.79 ESR1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2ESR1
SCHEMBL507856 0.79 ESR1 (0.38) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL508008 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ESR1ESR2ENPP2
SCHEMBL507003 0.78 KDR (0.39) SMN1; SMN2ESR1ESR2PDE5AENPP2
SCHEMBL2580046 0.77 ESR1 (0.37) HTTSMN1; SMN2ESR1ESR2POLB
SCHEMBL507859 0.77 ATM (0.37) HTTSMN1; SMN2ESR1ESR2POLB
SCHEMBL507977 0.77 FAAH (0.39) KMT2AMEN1ALDH1A1ESR1ESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP 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-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 (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 UBE2M 2706/4885DCUN1D1 2086/4885TP53 4836/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A UBE2M 3842/4885DCUN1D1 1761/4885TP53 4830/4885

“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.