SCHEMBL8255157

SCHEMBL8255157

CC(C)(N)CNC1c2ccccc2CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMPD1 P17405 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
BCHE P06276 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ACHE P22303 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR6 P50406 1/20 0.40
PDPK1 O15530 1/20 0.39
ACP3 P15309 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 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
SCHEMBL7439980 0.76 HTR2C (0.50) RETHTR2AHTR2CSLC6A3SMPD1
SCHEMBL8251182 0.74 HTR2C (0.55) RETHTR2AHTR2CSLC6A3SMPD1
SCHEMBL11860631 0.71 RET (0.48) RETHTR2APDPK1ACP3CYP3A4
SCHEMBL6998985 0.70 PDPK1 (0.59) RETHTR2AHTR2CSLC6A3MAOA
SCHEMBL9693136 0.70 HTR2C (0.55) RETHTR2AHTR2CSLC6A3SMPD1
SCHEMBL442560 0.69 HTR2C (0.54) RETHTR2AHTR2CSLC6A3SMPD1
Hydrochloric Acid SCHEMBL6718185 0.69 PDPK1 (0.57) RETHTR2AHTR2CSLC6A3PDPK1
SCHEMBL9248431 0.68 HTR2C (0.64) RETHTR2AHTR2CSLC6A3SMPD1
SCHEMBL13900491 0.67 MAOA (0.62) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL8402847 0.67 MTNR1A (0.55) HTR2CSLC6A3CYP3A4

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 10 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
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

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 RET 1556/4885HTR2A 1763/4885HTR2C 1317/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 RET 1556/4885HTR2A 1763/4885HTR2C 1317/4885

“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.