SCHEMBL6034243

SCHEMBL6034243

O=C1NCc2cc(C(=O)CCCCNCCc3ccccc3Cl)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
DRD4 P21917 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHRM2 P08172 1/20 0.35
TP53 P04637 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34

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 SCHEMBL4860074 0.99 ACHE (0.39) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL6035329 0.86 TDP1 (0.39) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL6035845 0.86 ACHE (0.42) ACHECHRM2PDE3BPDE3A
SCHEMBL6035065 0.86 HDAC3 (0.49) ACHEHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL4856792 0.85 ACHE (0.41) ACHEMAPTCHRM2PDE3BPDE3A
Hydrochloric Acid SCHEMBL4859995 0.85 TDP1 (0.39) HTR1AHTR2AHTR7DRD3DRD2
SCHEMBL6035044 0.85 HDAC3 (0.51) ACHEHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL4861062 0.85 HDAC3 (0.48) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL6034218 0.84 ACHE (0.39) ACHEHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL4910371 0.84 HDAC3 (0.50) ACHEHTR1AHTR2AHTR7DRD3

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-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
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 ACHE 1/4885HTR1A 339/4885HTR2A 851/4885

“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.