SCHEMBL4889291

SCHEMBL4889291

O=C1NCc2cc3c(cc2N1)C(=O)[CH]CCC3

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MAPK1 P28482 2/20 0.33
MB P02144 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4860524 0.91 PDE3B (0.41) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4860782 0.81 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4889293 0.75 PDE3B (0.38) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4860530 0.72 PDE3B (0.40) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4860788 0.68 PDE3B (0.42) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4855429 0.67 GRIN2D (0.44) PDE3BPDE3AMAPK1MEN1KMT2A
SCHEMBL2836782 0.62 PDE3B (0.61) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL16318310 0.60 CMA1 (0.59) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL31173261 0.60 CMA1 (0.59) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL4888681 0.60 PDE7A (0.33)

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 8 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-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT PDE3B 121/4885PDE3A 61/4885CYP11B1 1322/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE3B 27/4885PDE3A 12/4885CYP11B1 615/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE3B 27/4885PDE3A 12/4885CYP11B1 615/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PDE3B 37/4885PDE3A 21/4885CYP11B1 698/4885

“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.