SCHEMBL4857520

SCHEMBL4857520

COc1ccc(-c2ccc3c(c2)CCN3C(=O)Nc2ccccc2)cc1CCN(CCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
HTR2C P28335 12/20 0.41
HTR2A P28223 11/20 0.41
SLC2A1 P11166 1/20 0.40
TRIM24 O15164 1/20 0.39
HTR2B P41595 7/20 0.38
CYP1A2 P05177 5/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4858164 0.91 DGAT1 (0.46) DGAT1HTR2CHTR2ASLC2A1TRIM24
SCHEMBL4851828 0.89 TRIM24 (0.36) SLC2A1TRIM24MEN1KMT2A
SCHEMBL4859154 0.89 THRB (0.41) TRIM24MAPTTP53MEN1KMT2A
SCHEMBL4854074 0.88 CYP11B1 (0.41) TRIM24SMN1; SMN2
SCHEMBL4861189 0.85 TRIM24 (0.43) TRIM24SMN1; SMN2
SCHEMBL4863117 0.85 ADRB3 (0.36) TRIM24MAPTMEN1KMT2A
SCHEMBL4860522 0.84 MEN1 (0.33) TRIM24SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4857513 0.82 NPC1 (0.40) HTR2CHTR2ASLC2A1HTR2BCYP1A2
SCHEMBL4855336 0.82 S1PR1 (0.38) MAPTMEN1KMT2A
SCHEMBL4851761 0.81 TRIM24 (0.36) SLC2A1TRIM24MEN1KMT2A

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 DGAT1 2246/4885HTR2C 1295/4885HTR2A 851/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 DGAT1 2246/4885HTR2C 1295/4885HTR2A 851/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE DGAT1 2756/4885HTR2C 2649/4885HTR2A 1913/4885

“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.