SCHEMBL4786519

SCHEMBL4786519

c1ccc(-c2noc([C@@H]3CCCN3)n2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
NPC1 O15118 9/20 0.64
SMN1; SMN2 Q16637 9/20 0.64
TP53 P04637 6/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 2/20 0.64
NR1H4 Q96RI1 2/20 0.60
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRM5 P41594 4/20 0.48
PKM P14618 5/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL8276253 1.00 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL4956379 0.99 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL4787881 0.99 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL4958803 0.99 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14061740 0.82 NR1H4 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14153292 0.82 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL8274898 0.81 NR1H4 (0.74) RAB9ANPC1ALDH1A1NR1H4CYP1A2
SCHEMBL8276225 0.81 NR1H4 (0.74) RAB9ANPC1ALDH1A1NR1H4CYP1A2
SCHEMBL15848298 0.81 NR1H4 (0.74) RAB9ANPC1ALDH1A1NR1H4CYP1A2
Hydrochloric Acid SCHEMBL4955787 0.80 NR1H4 (0.72) RAB9ANPC1ALDH1A1NR1H4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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 (1 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 RAB9A 218/4885NPC1 1084/4885SMN1; SMN2 4238/4885

“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.