SCHEMBL4851398

SCHEMBL4851398

COc1cccc(-c2c[nH]c3ccccc23)c1CCN(CCCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
NAMPT P43490 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 3/20 0.36
NCOR2 Q9Y618 2/20 0.36
PTPN1 P18031 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HAT1 O14929 1/20 0.34
EP300 Q09472 1/20 0.34
GAA P10253 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL4850317 0.89 CDK4 (0.39) CDK4CCND1HDAC1CTNNB1WNT3A
SCHEMBL4862456 0.87 NAMPT (0.42) CDK4CCND1NAMPTHDAC1HDAC3
SCHEMBL4863063 0.83 TACR1 (0.39) TACR1CDK4CCND1NAMPTHDAC1
SCHEMBL5982136 0.81 HDAC1 (0.39) NAMPTHDAC1HDAC3HDAC2NCOR2
SCHEMBL4851395 0.75 CTNNB1 (0.53) TACR1CDK4CCND1NAMPTCTNNB1
SCHEMBL4860747 0.75 NR3C1 (0.35) HDAC1MAPTHPGDKMT2A
SCHEMBL4863061 0.74 CTNNB1 (0.54) TACR1CDK4CCND1NAMPTCTNNB1
SCHEMBL4861724 0.74 MC5R (0.43) CDK4CCND1
SCHEMBL4856817 0.71 CDK4 (0.41) CDK4CCND1HDAC1MAPTGAA
SCHEMBL4851739 0.68 KMT2A (0.35) MAPTHPGDMEN1KMT2A

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 TACR1 59/4885CDK4 4379/4885CCND1 2399/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TACR1 59/4885CDK4 4379/4885CCND1 2399/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TACR1 29/4885CDK4 4330/4885CCND1 2567/4885

“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.