SCHEMBL4852133

SCHEMBL4852133

COc1ccccc1CCCN(CCCCC(=O)c1ccc2c(c1)CCC(=O)N2C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
DRD4 P21917 2/20 0.39
TRIM24 O15164 1/20 0.38
DRD2 P14416 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4861851 0.91 ACHE (0.40) ACHELMNAPOLBDRD4TRIM24
SCHEMBL6035468 0.89 SIGMAR1 (0.44) ACHELMNAPOLBDRD4DRD2
Hydrochloric Acid SCHEMBL4861295 0.88 SIGMAR1 (0.43) ACHELMNAPOLBDRD4DRD2
SCHEMBL4854054 0.88 ACHE (0.40) ACHELMNAPOLBDRD4DRD2
SCHEMBL4859380 0.87 DRD2 (0.39) ACHEDRD2
SCHEMBL4861455 0.85 ACHE (0.44) ACHEDRD4DRD2MAPT
SCHEMBL6035445 0.85 LMNA (0.43) ACHELMNAPOLBDRD4MAPT
SCHEMBL4858690 0.85 TSHR (0.46) LMNAPOLBTRIM24MAPT
Hydrochloric Acid SCHEMBL4852594 0.84 LMNA (0.42) ACHELMNAPOLBDRD4MAPT
SCHEMBL6036007 0.83 LMNA (0.43) ACHELMNAPOLBDRD4TRIM24

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 1/4885LMNA 1921/4885POLB 1937/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ACHE 1/4885LMNA 1921/4885POLB 1937/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ACHE 1/4885LMNA 2218/4885POLB 1453/4885

“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.