SCHEMBL4855574

SCHEMBL4855574

O=C1CCc2cc(C(=O)CCCCN(CCc3ccccc3)C(=O)O)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
MAOB P27338 5/20 0.51
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
DRD3 P35462 2/20 0.49
DRD4 P21917 1/20 0.49
GRIN2B Q13224 2/20 0.48
DRD2 P14416 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
CRBN Q96SW2 3/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL4858283 0.88 HTR1A (0.46) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL4861872 0.87 MAOA (0.47) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL4851846 0.85 DRD3 (0.44) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL6035921 0.82 HDAC3 (0.53) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL6036019 0.81 HDAC3 (0.54) MAOAMAOBHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4863013 0.81 HDAC3 (0.52) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL4853743 0.80 MAPT (0.53) LMNAALDH1A1TP53MAPTKLF5
Hydrochloric Acid SCHEMBL4862451 0.80 HDAC3 (0.53) MAOAMAOBHTR1AHTR2AHTR7
SCHEMBL4860859 0.80 MAPT (0.52) LMNAALDH1A1TP53MAPTKLF5
SCHEMBL10464326 0.77 GRIN2B (0.60) MAOAMAOBHTR1AHTR2AHTR7

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 MAOA 152/4885MAOB 248/4885HTR1A 339/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOA 152/4885MAOB 248/4885HTR1A 339/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOA 54/4885MAOB 108/4885HTR1A 2226/4885

“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.