SCHEMBL3759677

SCHEMBL3759677

O=C(Nc1cncc2ccccc12)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
FAAH O00519 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL1277271 0.75 TRPV1 (0.52) TRPV1ALDH1A1HPGDLMNAHDAC6
SCHEMBL27034898 0.74 KDM4E (0.62) TRPV1ALDH1A1HDAC6MALT1ADRA2A
SCHEMBL11216187 0.73 ALDH1A1 (0.44) TRPV1ALDH1A1HPGDLMNAPOLB
SCHEMBL14665804 0.72 ADRA2A (0.50) ALDH1A1HPGDHDAC6MALT1ADRA2A
SCHEMBL2728010 0.72 HDAC6 (0.49) TRPV1ALDH1A1HDAC6MALT1ADRA2A
SCHEMBL4272417 0.71 TDP1 (0.59) ALDH1A1HPGDLMNAHDAC6POLB
SCHEMBL7835188 0.71 KDM4E (0.48) ALDH1A1LMNAPOLBKDM4ESMN1; SMN2
SCHEMBL10778464 0.70 NPC1 (0.54) ALDH1A1HPGDLMNAPOLBSMN1; SMN2
SCHEMBL3763311 0.70 NPC1 (0.51) HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL24652555 0.70 ALDH1A1 (0.55) TRPV1ALDH1A1HDAC6MALT1ADRA2A

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 TRPV1 87/4885ALDH1A1 353/4885HPGD 429/4885

“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.