SCHEMBL4859709

SCHEMBL4859709

O=C1NCc2cc(C(=O)CCCCCl)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
EPHX2 P34913 1/20 0.38
CRBN Q96SW2 1/20 0.37
SMYD3 Q9H7B4 3/20 0.36
MB P02144 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL8545280 0.91 PDE3B (0.47) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL18114133 0.85 PDE3B (0.49) PDE3BPDE3ACYP11B1CYP11B2EPHX2
SCHEMBL7526652 0.83 PDE3B (0.47) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL4851475 0.81 HTR1A (0.57) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL4862485 0.81 ACHE (0.36) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL7418793 0.80 PDE3B (0.49) PDE3BPDE3AHTR1AHTR2AHTR7
SCHEMBL7096246 0.79 HTR1A (0.58) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL6035329 0.78 TDP1 (0.39) HTR1AHTR2AHTR7DRD3DRD4
Hydrochloric Acid SCHEMBL4859995 0.77 TDP1 (0.39) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL6035141 0.77 THRA (0.46) PDE3BPDE3AHTR1AHTR2AHTR7

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 9 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-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-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 PDE3B 27/4885PDE3A 12/4885HTR1A 339/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE3B 27/4885PDE3A 12/4885HTR1A 339/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PDE3B 37/4885PDE3A 21/4885HTR1A 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.