SCHEMBL8257409

SCHEMBL8257409

NCC(=O)N1c2ccccc2CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
MITF O75030 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
ADRB2 P07550 1/20 0.54
TP53 P04637 1/20 0.54
HTR2A P28223 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
Hydrochloric Acid SCHEMBL6197508 0.90 NPC1 (0.57) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL8254909 0.81 NPC1 (0.69) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL12223788 0.81 NPC1 (1.00) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL15800708 0.81 NPC1 (0.69) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL18793809 0.79 TSHR (0.75) NPC1RAB9AKMT2AALDH1A1CYP3A4
SCHEMBL6297666 0.79 NPC1 (0.75) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL29485834 0.79 NPC1 (0.75) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL1744688 0.79 ALDH1A1 (0.62) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL31182096 0.79 ALDH1A1 (0.62) NPC1MITFRAB9AKMT2AALDH1A1
SCHEMBL3266328 0.77 ALDH1A1 (0.66) NPC1MITFRAB9AKMT2AALDH1A1

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 NPC1 1571/4885MITF 2271/4885RAB9A 4132/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 NPC1 1571/4885MITF 2271/4885RAB9A 4132/4885

“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.