SCHEMBL4861457

SCHEMBL4861457

COc1ccc(-c2ccc3c(c2)CCN3)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
TNIK Q9UKE5 1/20 0.33
HSD17B1 P14061 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MAP3K11 Q16584 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
LPAR1 Q92633 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
SCHEMBL4861962 0.89 ACHE (0.36) ACHETNIKHSD17B1S1PR1S1PR3
SCHEMBL4861459 0.81 MEN1 (0.34) HSD17B1S1PR1MEN1KMT2A
SCHEMBL4859365 0.80 NOTUM (0.35) HSD17B1S1PR1MEN1KMT2A
SCHEMBL4858572 0.80 CYP11B1 (0.44) S1PR1
SCHEMBL4861301 0.79 ERN1 (0.46) KMT2AHTR1D
SCHEMBL4851761 0.79 TRIM24 (0.36) S1PR1MEN1KMT2A
SCHEMBL4860206 0.78 S1PR1 (0.40) S1PR1
SCHEMBL4859704 0.78 PKM (0.41)
SCHEMBL4858843 0.77 THRB (0.44)
SCHEMBL4859687 0.77 ADRB3 (0.38) MEN1KMT2ALPAR1

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 ACHE 1/4885JAK2 4758/4885JAK3 4749/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885JAK2 4758/4885JAK3 4749/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885JAK2 4816/4885JAK3 4752/4885

“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.