SCHEMBL4862485

SCHEMBL4862485

O=C(CCCCCl)c1ccc2c(c1)CNCN2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.36
HTR1A P08908 3/20 0.36
HTR2A P28223 3/20 0.36
HTR7 P34969 3/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL4859709 0.81 PDE3B (0.44) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL4886845 0.77 HTR1A (0.34) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL4886827 0.77 HTR1A (0.34) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL11678805 0.74 L3MBTL1 (0.54) HTR2AHTR7CTNNB1WNT3ADRD2
SCHEMBL28286721 0.74 SIRT2 (0.43) KDM4EMAPTTSHR
SCHEMBL4851948 0.74 MCHR1 (0.55) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL4851475 0.74 HTR1A (0.57) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL27593169 0.72 NPC1 (0.37) MAPTL3MBTL1
SCHEMBL5328213 0.72 CTNNB1 (0.57) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL7096246 0.71 HTR1A (0.58) HTR1AHTR2AHTR7DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (3 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
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885HTR1A 339/4885HTR2A 851/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885HTR1A 2226/4885HTR2A 1913/4885

“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.