SCHEMBL4817839

SCHEMBL4817839

Cc1ccc(NCC2(N(C)C(=O)O)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
DDX3X O00571 1/20 0.38
FPR2 P25090 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SORT1 Q99523 1/20 0.36
FPR3 P25089 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
NAMPT P43490 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
VNN1 O95497 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL4821917 0.86 FDFT1 (0.36) OPRM1FPR2FPR3NAMPTALDH1A1
SCHEMBL4818195 0.86 KCNQ3 (0.41) FPR2FPR3KCNQ3KCNQ2ALDH1A1
SCHEMBL4669443 0.82 SMN1; SMN2 (0.42) OPRM1OPRL1NAMPTNPC1ALDH1A1
SCHEMBL3154907 0.79 SYK (0.33)
SCHEMBL3151064 0.76 RAF1 (0.38)
SCHEMBL3156239 0.75 ALDH1A1 (0.33) ALDH1A1GAAMAPT
SCHEMBL3147370 0.75 ABL1 (0.36)
SCHEMBL4823642 0.75 IDO1 (0.34) OPRM1ALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL6482943 0.75 CYP4F2 (0.39) NPC1RAB9AMAPT
SCHEMBL4673438 0.74 FPR2 (0.40) GRM5DDX3XFPR2NPSR1FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GRM5 214/4885OPRM1 40/4885OPRL1 45/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 GRM5 92/4885OPRM1 20/4885OPRL1 40/4885

“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.