SCHEMBL10277763

SCHEMBL10277763

Cc1cc(CNc2c(Cl)ccc3c2CCNCC3)ccc1C(=O)NC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TSHR P16473 2/20 0.41
CNR2 P34972 7/20 0.40
CNR1 P21554 3/20 0.40
FAAH O00519 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE5A O76074 1/20 0.38
CRHR1 P34998 1/20 0.37
IKBKB O14920 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Succinic Acid SCHEMBL508040 0.96 NPC1 (0.41) NPC1RAB9ATSHRCNR2CNR1
SCHEMBL508285 0.92 NPC1 (0.47) NPC1RAB9ATSHRCNR2CNR1
SCHEMBL10277957 0.90 NPC1 (0.43) NPC1RAB9ATSHRCNR2CNR1
SCHEMBL10230561 0.90 NPC1 (0.43) NPC1RAB9ATSHRCNR2CNR1
SCHEMBL10274962 0.90 NPC1 (0.43) NPC1RAB9ATSHRCNR2CNR1
SCHEMBL10277731 0.87 HPGD (0.49) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Succinic Acid SCHEMBL507560 0.86 NPC1 (0.40) NPC1RAB9ATSHRCNR2CNR1
Succinic Acid SCHEMBL507730 0.86 NPC1 (0.40) NPC1RAB9ATSHRCNR2CNR1
Succinic Acid SCHEMBL506821 0.83 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Succinic Acid SCHEMBL507294 0.83 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 8 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-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 NPC1 2664/4885RAB9A 3673/4885TSHR 170/4885
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 1649/4885TSHR 143/4885

“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.