SCHEMBL4856817

SCHEMBL4856817

COc1ccc(-c2c[nH]c3ccccc23)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
KDR P35968 1/20 0.40
ICMT O60725 1/20 0.39
MAPT P10636 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR5A P47898 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HTR7 P34969 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
SCHEMBL4863063 0.89 TACR1 (0.39) CDK4CCND1KDRICMTMAPT
SCHEMBL4854966 0.82 MC5R (0.43) KMT2A
SCHEMBL4850317 0.81 CDK4 (0.39) CDK4CCND1MAPTHDAC1HDAC6
SCHEMBL4861724 0.80 MC5R (0.43) CDK4CCND1HTR5AHTR1AADRA2A
SCHEMBL4859704 0.75 PKM (0.41) MAPTGAAHTT
SCHEMBL4861301 0.75 ERN1 (0.46) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL4861457 0.74 ACHE (0.35) HTR1BMEN1KMT2A
SCHEMBL4854950 0.74 BRD4 (0.42) MAPTGAA
SCHEMBL4855325 0.74 BRD4 (0.40) MAPTMEN1KMT2A
SCHEMBL5982136 0.73 HDAC1 (0.39) MAPTHDAC1MEN1KMT2A

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 CDK4 4379/4885CCND1 2399/4885KDR 4301/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CDK4 4379/4885CCND1 2399/4885KDR 4301/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CDK4 4330/4885CCND1 2567/4885KDR 4480/4885

“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.