SCHEMBL4818544

SCHEMBL4818544

CN(C(=O)O)C1(CN(C(=O)c2ccccc2)c2ccc(Cl)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
FFAR2 O15552 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
GAA P10253 1/20 0.34
OXTR P30559 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGIR P43119 1/20 0.33

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
SCHEMBL4824088 0.82 MEN1 (0.39) KMT2AMEN1ALDH1A1LMNAFFAR2
SCHEMBL4824601 0.82 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL4823417 0.78 MEN1 (0.39) KMT2AMEN1ALDH1A1LMNAFFAR2
SCHEMBL4818540 0.78 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1LMNAKCNQ3
SCHEMBL4670838 0.78 KCNQ3 (0.37) KMT2AMEN1ALDH1A1LMNAKCNQ3
Hydrochloric Acid SCHEMBL4818628 0.71 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6290174 0.70 CHRNB2 (0.41)
SCHEMBL4818195 0.69 KCNQ3 (0.41) KMT2AMEN1ALDH1A1LMNAKCNQ3
SCHEMBL4823642 0.69 IDO1 (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4820601 0.68 OXTR (0.31) OXTR

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 KMT2A 2105/4885MEN1 3199/4885ALDH1A1 531/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 KMT2A 2287/4885MEN1 2023/4885ALDH1A1 747/4885

“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.