SCHEMBL4856652

SCHEMBL4856652

CN1C(=O)CCc2cc(C(=O)CCCCCl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
ACHE P22303 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
MCHR1 Q99705 2/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10838349 0.91 CYP11B1 (0.42) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL27611336 0.87 HSD17B3 (0.44) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL8524330 0.85 MAPT (0.52) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL4859534 0.82 BRD4 (0.40) ACHEALDH1A1MAPTSMN1; SMN2SMYD3
SCHEMBL10861761 0.81 MAPT (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL7317599 0.80 CYP11B2 (0.44) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL10861752 0.79 SIRT2 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL10563001 0.79 TMEM97 (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL4857963 0.78 ALDH1A1 (0.61) CYP11B2CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13987713 0.78 LMNA (0.41) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1

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 10 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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN 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 CYP11B2 872/4885CYP11B1 615/4885CYP1A2 757/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CYP11B2 872/4885CYP11B1 615/4885CYP1A2 757/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP11B2 655/4885CYP11B1 698/4885CYP1A2 799/4885

“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.