SCHEMBL506639

SCHEMBL506639

O=C(NCCc1cccs1)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NAMPT P43490 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ADAM17 P78536 2/20 0.40
ADAM10 O14672 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 3/20 0.38
SNCA P37840 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK14 Q16539 1/20 0.37
ROCK2 O75116 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL507493 0.84 NAMPT (0.44) NPC1RAB9ANAMPTSMN1; SMN2ALDH1A1
SCHEMBL2370033 0.83 ESR1 (0.38) NAMPTSMN1; SMN2MAPTALDH1A1TRPV1
SCHEMBL508010 0.83 NPC1 (0.52) NPC1RAB9ALMNATAAR1NAMPT
SCHEMBL507035 0.81 ESR1 (0.40) LMNANAMPTMAPTALDH1A1KDM4E
Succinic Acid SCHEMBL507064 0.80 NPC1 (0.48) NPC1RAB9ALMNATAAR1NAMPT
SCHEMBL507526 0.80 ESR1 (0.38) SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL506372 0.80 ESR1 (0.39) NPC1ALDH1A1KDM4EHPGD
SCHEMBL507044 0.80 ESR1 (0.41) RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL506344 0.79 ESR1 (0.44) LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL507562 0.79 ESR1 (0.40) NPC1RAB9ALMNAMAPTHPGD

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 NPC1 2664/4885RAB9A 3673/4885LMNA 4504/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NPC1 3189/4885RAB9A 1649/4885LMNA 4672/4885

“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.