SCHEMBL4824840

SCHEMBL4824840

O=CN(CC1(N(Cc2ccccc2)C(=O)O)CC1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.39
KCNA5 P22460 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNN4 O15554 1/20 0.39
HTT P42858 1/20 0.38
GRM2 Q14416 4/20 0.37
KMT2A Q03164 2/20 0.37
TBXAS1 P24557 2/20 0.36
ALDH1A1 P00352 1/20 0.36
G6PC1 P35575 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL4825426 0.82 HTT (0.40) GAATSHRNAPRTKCNA5MAPT
Hydrochloric Acid SCHEMBL11775309 0.77 GAA (0.50) GAATSHRKCNA5POLBMAPT
SCHEMBL4670501 0.75 SMN1; SMN2 (0.45) GAATSHRKMT2AALDH1A1MEN1
SCHEMBL4669408 0.70 HTT (0.35) GAAMAPTHTTALDH1A1HDAC6
SCHEMBL28807373 0.70 GAA (0.70) GAATSHRNAPRTKCNA5POLB
SCHEMBL4669407 0.69 PTGIR (0.35) TSHRHTT
SCHEMBL1509098 0.68 NPC1 (0.41) TSHRHTTKMT2AALDH1A1OPRM1
SCHEMBL1850567 0.68 HTT (0.46) GAATSHRNAPRTKCNA5POLB
SCHEMBL10502805 0.66 KCNA5 (0.41) GAATSHRNAPRTKCNA5MAPT
SCHEMBL22289326 0.66 GAA (0.73) GAATSHRNAPRTKCNA5HTT

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 GAA 3100/4885TSHR 138/4885NAPRT 182/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 GAA 2858/4885TSHR 58/4885NAPRT 324/4885

“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.