SCHEMBL6201832

SCHEMBL6201832

Cc1nc2c3c(ccc2[nH]1)OCC(CCl)O3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
HTR1A P08908 5/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6203129 1.00 ADRB2 (0.34) ADRB2HTR1ADRD2HTR2AHTR2C
SCHEMBL8265186 0.73 HCRTR1 (0.39) ADRB2PDE1APDE1BPDE1CHTT
SCHEMBL11097027 0.70 CA2 (0.44) POLBHTTCA2
SCHEMBL6864820 0.69 DRD4 (0.45) HTR1ADRD2POLBPARP1
SCHEMBL11027482 0.64 CA2 (0.58) USP2HTTCA2
SCHEMBL8596072 0.64 CA2 (0.51) HTTCA2
SCHEMBL13594653 0.64 ADRB2 (0.52) ADRB2PDE1APDE1BPDE1CHTT
SCHEMBL12438834 0.64 HTR2C (0.43) ADRB2HTR1AHTR2AHTR2CHTR2B
SCHEMBL12438619 0.63 ADRB2 (0.37) ADRB2HTR1AHTR2AHTR2CHTR2B
SCHEMBL6199543 0.63 HTR1A (0.36) HTR1ADRD2PARP1CA2

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-1401839-B9 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-11-30 EP disclosed
EP-1401839-B1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-09-07 EP disclosed
US-6927226-B2 Antidepressant azaheterocyclymethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2005-08-09 US disclosed
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH 2004-01-15 US disclosed
US-6573283-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-06-03 US disclosed
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2002-12-05 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-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 ADRB2 413/4885HTR1A 9/4885DRD2 4/4885
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 ADRB2 413/4885HTR1A 9/4885DRD2 4/4885

“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.