SCHEMBL4670342

SCHEMBL4670342

CN(CC1(NCc2ccccc2)CC1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
LTA4H P09960 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNA7 P36544 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4670529 0.81 CHRNB2 (0.37) OPRM1OPRL1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4820570 0.80 CHRNB2 (0.36) OPRM1OPRL1CHRNB2CHRNA4CHRNA7
SCHEMBL4670889 0.73 CHRNB2 (0.40) OPRM1OPRL1CHRNB2CHRNA4ALDH1A1
SCHEMBL2227055 0.73 CHRNB2 (0.55) OPRM1OPRL1CHRNB2CHRNA4ALDH1A1
Hydrochloric Acid SCHEMBL4825133 0.72 CHRNB2 (0.39) OPRM1OPRL1CHRNB2CHRNA4ALDH1A1
SCHEMBL20216933 0.72 LTA4H (0.46) OPRM1OPRL1LTA4HCHRNB2CHRNA4
SCHEMBL4669095 0.72 CHRNB2 (0.39) OPRM1OPRL1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4827048 0.71 CHRNB2 (0.38) OPRM1OPRL1CHRNB2CHRNA4CHRNA7
SCHEMBL9129445 0.70 CHRNA7 (0.57) CHRNB2CHRNA4CHRNA7GAA
SCHEMBL4072840 0.67 CHRNB2 (0.44) OPRM1OPRL1CHRNB2CHRNA4SMN1; SMN2

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 OPRM1 40/4885OPRL1 45/4885LTA4H 693/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 OPRM1 20/4885OPRL1 40/4885LTA4H 812/4885

“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.