SCHEMBL4858283

SCHEMBL4858283

O=C1CCc2cc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)O)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
DRD2 P14416 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GRIN2B Q13224 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40

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
SCHEMBL13987709 0.89 HTR1A (0.47) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4856265 0.88 HTR1A (0.42) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4855574 0.88 MAOA (0.51) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4851846 0.87 DRD3 (0.44) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL6035065 0.82 HDAC3 (0.49) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4861331 0.82 CASP3 (0.54) ALDH1A1GAA
SCHEMBL6035044 0.81 HDAC3 (0.51) HTR1AHTR2AHTR7DRD3DRD4
Hydrochloric Acid SCHEMBL4861062 0.81 HDAC3 (0.48) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL4855307 0.81 CASP3 (0.54) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4910371 0.81 HDAC3 (0.50) 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 HTR1A 339/4885HTR2A 851/4885HTR7 624/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HTR1A 339/4885HTR2A 851/4885HTR7 624/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HTR1A 2226/4885HTR2A 1913/4885HTR7 1157/4885

“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.