SCHEMBL4862988

SCHEMBL4862988

CN1C(=O)CCc2cc(C(=O)CCCCN(CCc3ccc(F)cc3Cl)C(=O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
METAP2 P50579 1/20 0.36
P2RX7 Q99572 9/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
DRD4 P21917 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
SCHEMBL4860617 0.90 METAP2 (0.34) TP53METAP2P2RX7DRD2DRD3
SCHEMBL4861545 0.85 NOTUM (0.47) CYP11B1CYP11B2
SCHEMBL6034122 0.84 METAP2 (0.39) TP53METAP2P2RX7CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4858863 0.83 METAP2 (0.39) TP53METAP2P2RX7CYP11B1CYP11B2
SCHEMBL4859380 0.81 DRD2 (0.39) DRD2
SCHEMBL13988005 0.81 DRD2 (0.35) TP53METAP2DRD2DRD3CYP11B1
SCHEMBL4861199 0.79 MCHR1 (0.38) DRD2CYP11B1CYP11B2
SCHEMBL6034227 0.79 MCHR1 (0.40) DRD2DRD3CYP11B1CYP11B2HTR2A
SCHEMBL4852133 0.79 ACHE (0.40) DRD2DRD4
SCHEMBL4860199 0.79 NPC1 (0.49) DRD2DRD3HTR1ADRD1HTR2A

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 TP53 4560/4885METAP2 164/4885P2RX7 2193/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TP53 4560/4885METAP2 164/4885P2RX7 2193/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TP53 4160/4885METAP2 67/4885P2RX7 3181/4885

“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.