SCHEMBL10277735

SCHEMBL10277735

O=C(NCCOc1c(Cl)ccc2c1CCNCC2)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42

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 SCHEMBL507095 0.99 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1CYP3A4CYP1A2
SCHEMBL10274793 0.88 NPC1 (0.48) SMN1; SMN2KMT2AALDH1A1POLBNAMPT
Hydrochloric Acid SCHEMBL507115 0.87 LMNA (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL505534 0.87 NPC1 (0.47) SMN1; SMN2KMT2AALDH1A1POLBNAMPT
Hydrochloric Acid SCHEMBL507159 0.84 TSHR (0.45) SMN1; SMN2KMT2AMEN1CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL506261 0.84 NPC1 (0.43) SMN1; SMN2ALDH1A1LMNAPOLBNAMPT
Hydrochloric Acid SCHEMBL506368 0.83 MEN1 (0.47) SMN1; SMN2KMT2AMEN1LMNAPOLB
SCHEMBL10277279 0.83 KDM4E (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL506751 0.83 SLC2A1 (0.47) KMT2AMEN1CYP1A2ALDH1A1NAMPT
SCHEMBL10274745 0.82 MAPT (0.46) SMN1; SMN2KMT2AMEN1CYP3A4CYP1A2

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
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
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 SMN1; SMN2 1853/4885KMT2A 1239/4885MEN1 3996/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SMN1; SMN2 2954/4885KMT2A 1218/4885MEN1 3801/4885

“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.