SCHEMBL4824592

SCHEMBL4824592

O=C(O)NCC1(CN(Cc2ccccc2)c2ccc(Cl)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTC4S Q16873 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 2/20 0.36
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
GAA P10253 1/20 0.34
GLP1R P43220 1/20 0.34
GCGR P47871 1/20 0.34
CNR2 P34972 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4824084 0.80 KMT2A (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4818540 0.80 L3MBTL1 (0.39) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4824601 0.80 MEN1 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4823413 0.78 KMT2A (0.36) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4670355 0.78 ALDH1A1 (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4825587 0.76 ALDH1A1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4818628 0.75 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2ALDH1A1TDP1LTC4S
SCHEMBL4818188 0.71 KCNQ3 (0.43) L3MBTL1RAB9ASMN1; SMN2ALDH1A1NAMPT
SCHEMBL4820597 0.66 OPRM1 (0.32) LMNA
SCHEMBL4824088 0.65 MEN1 (0.39) L3MBTL1RAB9ASMN1; SMN2ALDH1A1TDP1

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 L3MBTL1 3231/4885NPC1 1048/4885RAB9A 1701/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 L3MBTL1 2522/4885NPC1 1566/4885RAB9A 1492/4885

“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.