SCHEMBL4851604

SCHEMBL4851604

Cn1c(=O)n(C)c2cc3c(cc21)CCCC3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 4/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ BRD1 O95696 2/20 0.41
▸ BRPF1 P55201 2/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ LMNA P02545 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
SCHEMBL1275258 0.75 MEN1 (0.55) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL8284440 0.74 MEN1 (0.69) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL3454654 0.72 MEN1 (0.73) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10389430 0.71 MEN1 (0.50) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10389435 0.71 MEN1 (0.50) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL25945154 0.70 MEN1 (0.70) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL23782883 0.69 MEN1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10750496 0.69 MAPK1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL11460835 0.69 MEN1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL6171468 0.69 MAOA (0.53) MEN1KMT2AMAPK1NPSR1MAOA

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 MEN1 2484/4885KMT2A 2316/4885MAPK1 2501/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MEN1 2484/4885KMT2A 2316/4885MAPK1 2501/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MEN1 3753/4885KMT2A 1894/4885MAPK1 4161/4885

“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.

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