SCHEMBL3765720

SCHEMBL3765720

c1cc(-c2nsc(N3CCNCC3)n2)co1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.52
CYP3A4 P08684 4/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.43
CYP2D6 P10635 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
USP2 O75604 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC2 Q92769 4/20 0.40
HDAC3 O15379 3/20 0.40
ALOX15 P16050 1/20 0.39
HDAC1 Q13547 1/20 0.39
FAAH O00519 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL532234 0.80 FAAH (0.55) FAAHNPC1RAB9A
SCHEMBL3769549 0.79 FAAH (0.53) FAAHNPC1RAB9A
SCHEMBL4482673 0.77 FAAH (0.51) LMNAFAAHNPC1RAB9A
SCHEMBL4483992 0.77 FAAH (0.51) FAAHNPC1RAB9A
SCHEMBL3772544 0.76 AR (0.41) FAAHNPC1RAB9APIK3CAPIK3CG
SCHEMBL2007027 0.75 FAAH (0.51) MAPTFAAHNPC1RAB9AMAPK1
SCHEMBL14488223 0.75 HRH4 (0.48) CYP1A2CYP3A4LMNACYP2D6FAAH
SCHEMBL4480897 0.74 FAAH (0.54) ALDH1A1FAAHNPC1RAB9A
SCHEMBL3768344 0.74 NPC1 (0.51) FAAHNPC1RAB9A
SCHEMBL14488329 0.73 CHEK1 (0.46) FAAHNPC1RAB9A

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 4 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
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN 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 CYP1A2 182/4885CYP3A4 768/4885LMNA 3346/4885

“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.