SCHEMBL4490329

SCHEMBL4490329

COc1ccc2c(c1)c(C1CCNCC1)cn2C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.53
APP P05067 1/20 0.48
HTR2C P28335 4/20 0.47
ADRB2 P07550 1/20 0.46
GSK3B P49841 2/20 0.46
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.42
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
IGF1R P08069 1/20 0.41
GSK3A P49840 1/20 0.41
CDK7 P50613 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL18474321 0.86 ADRB2 (0.48) HTR6ADRB2GSK3BDRD2SLC6A4
SCHEMBL6638973 0.83 ADRB2 (0.45) HTR6ADRB2GSK3BDRD2SLC6A4
SCHEMBL21384653 0.81 KCNH2 (0.62) HTR6APPHTR2CDRD2SLC6A4
SCHEMBL4675116 0.81 SLC6A4 (0.66) HTR6APPDRD2SLC6A4KCNH2
SCHEMBL21088053 0.81 APP (0.50) HTR6APPHTR2CGSK3BDRD2
Hydrochloric Acid SCHEMBL30611179 0.80 SLC6A4 (0.64) HTR6APPDRD2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL26912351 0.80 SLC6A4 (0.64) HTR6APPDRD2SLC6A4KCNH2
SCHEMBL206108 0.78 APP (0.51) HTR6APPDRD2SLC6A4KCNH2
SCHEMBL18441414 0.77 ADRB2 (0.45) HTR6ADRB2GSK3BDRD2SLC6A4
SCHEMBL5937271 0.77 HTR6 (0.57) HTR6APPHTR2CADRB2SLC6A4

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
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
EP-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO 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 (3 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR6 1/4885APP 878/4885HTR2C 16/4885
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 HTR6 12/4885APP 3987/4885HTR2C 4/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR6 863/4885APP 2128/4885HTR2C 1211/4885

“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.