SCHEMBL3764631

SCHEMBL3764631

Clc1ccccc1-c1csc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.51
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR7 P34969 1/20 0.48
ADRB1 P08588 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL3761421 0.89 SCN9A (0.50) ARHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL3764273 0.84 AR (0.73) ARCYP1A2CYP3A4MAPTCYP2C19
SCHEMBL1259386 0.83 SMN1; SMN2 (0.61) ARHSD17B10HTR7PDE3BPDE3A
Hydrochloric Acid SCHEMBL2825129 0.83 AR (0.71) ARCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL27691371 0.80 HTR7 (0.56) ARCYP1A2CYP3A4MAPTCYP2C19
SCHEMBL2710025 0.80 AR (0.72) ARHSD17B10MEN1CYP1A2MAPT
SCHEMBL3767853 0.79 RAB9A (0.56) HSD17B10MAPTTDP1SMN1; SMN2RAB9A
SCHEMBL3765936 0.78 AR (0.56) ARHSD17B10HTR7SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL17541660 0.78 AR (0.70) ARHSD17B10MEN1CYP1A2MAPT
Hydrochloric Acid SCHEMBL3772042 0.78 AR (0.70) ARHSD17B10MEN1CYP1A2MAPT

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 AR 2900/4885HSD17B10 853/4885MEN1 3363/4885

“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.