SCHEMBL4670501

SCHEMBL4670501

O=C(O)N(Cc1ccccc1)C1(CNc2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIN2B Q13224 1/20 0.44
GAA P10253 3/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4669443 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL4669084 0.76 RAB9A (0.46) SMN1; SMN2GAARAB9ALTA4HALDH1A1
SCHEMBL4824840 0.75 GAA (0.44) GAATSHRKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4825575 0.74 RAB9A (0.45) SMN1; SMN2GAARAB9ALTA4H
SCHEMBL4673017 0.72 LTA4H (0.50) SMN1; SMN2CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL1509098 0.71 NPC1 (0.41) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL4805011 0.67 LTA4H (0.79) CYP3A4CYP2D6CYP2C9RAB9ALTA4H
SCHEMBL4669074 0.67 RAB9A (0.46) SMN1; SMN2GAARAB9ALTA4H
SCHEMBL4670579 0.67 BCDIN3D (0.55) GAAPKMNPC1RAB9ALTA4H
SCHEMBL28807373 0.67 GAA (0.70) SMN1; SMN2GAANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP disclosed
US-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATORIES SERVIER (FR) 2008-06-19 US disclosed
US-7388022-B2 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-06-17 US disclosed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP disclosed
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US 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-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds CHRNA1, CHRM1, CHRNA9 SMN1; SMN2 2290/4885CYP3A4 293/4885CYP2D6 399/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 SMN1; SMN2 1694/4885CYP3A4 488/4885CYP2D6 394/4885

“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.