SCHEMBL6035141

SCHEMBL6035141

CN(CCCCC(=O)c1ccc2c(c1)CNC(=O)N2)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SIGMAR1 Q99720 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
DPP4 P27487 1/20 0.39
DRD2 P14416 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
Hydrochloric Acid SCHEMBL4856597 0.99 THRA (0.45) THRATHRBSIGMAR1L3MBTL1TMEM97
SCHEMBL6034218 0.87 ACHE (0.39) THRATHRBSIGMAR1TMEM97PDE3B
Hydrochloric Acid SCHEMBL4854986 0.86 ACHE (0.39) THRATHRBSIGMAR1TMEM97PDE3B
SCHEMBL6034269 0.85 ACHE (0.42) SIGMAR1PDE3BPDE3A
Hydrochloric Acid SCHEMBL4855018 0.84 ACHE (0.43) SIGMAR1PDE3BPDE3A
SCHEMBL6035329 0.83 TDP1 (0.39) SIGMAR1L3MBTL1TDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4859995 0.82 TDP1 (0.39) SIGMAR1L3MBTL1TDP1ALDH1A1LMNA
SCHEMBL27593263 0.80 PDE3B (0.39) THRAPDE3BPDE3ATP53HTR1A
SCHEMBL4859709 0.77 PDE3B (0.44) L3MBTL1PDE3BPDE3AALDH1A1MAPT
SCHEMBL6035322 0.77 ALDH1A1 (0.54) L3MBTL1TDP1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US claimed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 THRA 1992/4885THRB 1908/4885SIGMAR1 2780/4885

“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.