SCHEMBL4855336

SCHEMBL4855336

COc1ccc(-c2ccc3c(c2)CCN3CCCO)cc1CCN(CCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
GPR119 Q8TDV5 1/20 0.34
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.32
HTR4 Q13639 4/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FGFR4 P22455 1/20 0.32
MAPT P10636 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
PDE4B Q07343 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4860522 0.92 MEN1 (0.33) S1PR1GPR119PPARGHTR4DRD2
SCHEMBL4860206 0.90 S1PR1 (0.40) S1PR1ALOX5EPHX2PPARGDRD2
SCHEMBL4863117 0.88 ADRB3 (0.36) ALOX5HTR4DRD2DRD4DRD3
SCHEMBL4854074 0.87 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL4861189 0.84 TRIM24 (0.43) CYP11B1CYP11B2
SCHEMBL4859154 0.84 THRB (0.41) MEN1KMT2AMAPTCYP11B1CYP11B2
SCHEMBL4851828 0.84 TRIM24 (0.36) S1PR1GPR119HTR4MEN1KMT2A
SCHEMBL4857520 0.82 DGAT1 (0.42) MEN1KMT2AMAPT
SCHEMBL4859365 0.81 NOTUM (0.35) S1PR1DRD2DRD4DRD3MEN1
SCHEMBL4861962 0.80 ACHE (0.36) S1PR1HTR4

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 S1PR1 1818/4885GPR119 727/4885ALOX5 2104/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 S1PR1 1818/4885GPR119 727/4885ALOX5 2104/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE S1PR1 3043/4885GPR119 1450/4885ALOX5 263/4885

“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.