SCHEMBL4518576

SCHEMBL4518576

CN1CCN(Cc2nc(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3Cl)cc2COC(=O)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
SLC2A1 P11166 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4514970 0.86 L3MBTL1 (0.43) SMN1; SMN2THRBL3MBTL1POLBMAPT
SCHEMBL4510528 0.82 MAPT (0.39) SMN1; SMN2L3MBTL1POLBMAPTNPC1
SCHEMBL3949241 0.79 KDM4E (0.41) SMN1; SMN2SLC2A1POLBCNR1LMNA
SCHEMBL4514869 0.71 RAB9A (0.40) SMN1; SMN2L3MBTL1POLBMAPTNPC1
SCHEMBL3109826 0.69 GRM5 (0.38) MAPTCNR1ALDH1A1
SCHEMBL3879970 0.69 OPRL1 (0.43) SMN1; SMN2SLC2A1POLBNPC1RAB9A
SCHEMBL4513493 0.69 CNR1 (0.45) SMN1; SMN2SLC2A1POLBNPC1RAB9A
SCHEMBL4514685 0.69 HSD17B10 (0.43) SMN1; SMN2SLC2A1POLBMAPTNPC1
SCHEMBL3114685 0.68 CRHR1 (0.38) SMN1; SMN2L3MBTL1MAPTGABRA2GABRB2
SCHEMBL4512598 0.68 ALDH1A1 (0.42) SMN1; SMN2MAPTTSHRCNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 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 (1 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT SMN1; SMN2 771/4885SLC2A1 2808/4885THRB 4742/4885

“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.