SCHEMBL8248673

SCHEMBL8248673

NCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.79
SLC6A4 P31645 8/20 0.56
SLC6A2 P23975 6/20 0.56
CYP3A4 P08684 5/20 0.56
SLC22A1 O15245 4/20 0.56
CHRM2 P08172 4/20 0.56
CYP2D6 P10635 4/20 0.56
CHRM1 P11229 4/20 0.56
ADRA1A P35348 4/20 0.56
DRD3 P35462 4/20 0.56
CACNA1B Q00975 4/20 0.56
SLC6A3 Q01959 4/20 0.56
KCNH2 Q12809 4/20 0.56
HRH1 P35367 4/20 0.56
LMNA P02545 4/20 0.56
DRD2 P14416 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
CHRM3 P20309 3/20 0.56
HTR2C P28335 3/20 0.56

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
Didesmethylimipramine SCHEMBL10376169 0.88 HTR2A (1.00) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL9689277 0.87 HTR2A (0.62) HTR2ACHRM2CHRM1ADRA1ADRD3
Didesmethylimipramine SCHEMBL11388787 0.86 HTR2A (0.96) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL17390908 0.86 HTR2A (0.89) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL4669145 0.85 CYP3A4 (0.65) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL21245974 0.85 HTR2A (0.86) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
Hydrochloric Acid SCHEMBL14698925 0.84 MEN1 (0.66) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL13051501 0.83 HTR2A (0.78) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL1798507 0.79 HTR2A (0.81) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1
SCHEMBL9404599 0.79 HTR2A (0.61) HTR2ASLC6A4SLC6A2CYP3A4SLC22A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
EP-0226730-B1 Compounds and assay for tricyclic antidepressants ABBOTT LAB (US) 1994-03-02 EP disclosed
EP-0226730-A2 Compounds and assay for tricyclic antidepressants ABBOTT LABORATORIES (US) 1987-07-01 EP 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 HTR2A 1763/4885SLC6A4 167/4885SLC6A2 1127/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 HTR2A 1763/4885SLC6A4 167/4885SLC6A2 1127/4885

“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.