SCHEMBL4855459

SCHEMBL4855459

CC(C)(C)OC(=O)N(CCCCC(=O)c1ccc2c(c1)NC(=O)CO2)CCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GAA P10253 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL4852531 0.91 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL4859982 0.91 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL4863090 0.91 ALDH1A1 (0.49) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL4861077 0.90 ALDH1A1 (0.44) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL4862681 0.89 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL4855255 0.88 MAPT (0.49) MAPTALDH1A1KDM4EUSP2POLB
SCHEMBL13987124 0.88 ALDH1A1 (0.55) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL6035154 0.85 MAPT (0.50) MAPTALDH1A1KDM4ENPSR1USP2
SCHEMBL13987983 0.85 NPSR1 (0.47) MAPTALDH1A1KDM4ENPSR1USP2
Hydrochloric Acid SCHEMBL4858476 0.85 MAPT (0.49) MAPTALDH1A1KDM4ENPSR1USP2

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 MAPT 1965/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAPT 1965/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAPT 1584/4885ALDH1A1 212/4885KDM4E 3707/4885

“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.