SCHEMBL4514685

SCHEMBL4514685

CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)nc1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CNR1 P21554 7/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
SLC2A1 P11166 1/20 0.43
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CNR2 P34972 2/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4511779 0.85 MAPT (0.48) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL4805155 0.83 CNR1 (0.47) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL4515129 0.82 HSD17B10 (0.58) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL4504078 0.79 HSD17B10 (0.42) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL4513493 0.78 CNR1 (0.45) SMN1; SMN2NPC1POLBRAB9ACNR1
SCHEMBL3879970 0.78 OPRL1 (0.43) SMN1; SMN2NPC1POLBRAB9ACNR1
SCHEMBL4677074 0.78 SLC2A1 (0.48) MAPTSMN1; SMN2NPC1TSHRRAB9A
SCHEMBL4509242 0.77 MAPT (0.47) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL13574337 0.76 HSD17B10 (0.47) HSD17B10MAPTSMN1; SMN2NPC1POLB
SCHEMBL3952036 0.74 CNR1 (0.43) CNR1CNR2MCHR1

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 HSD17B10 4108/4885MAPT 1642/4885SMN1; SMN2 771/4885

“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.