SCHEMBL4862456

SCHEMBL4862456

CC(C)(C)OC(=O)N(CCCCCC=O)CCc1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
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
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
MC5R P33032 9/20 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
SCHEMBL4851398 0.87 TACR1 (0.38) NAMPTPTPN1CDK4CCND1MEN1
SCHEMBL4861724 0.86 MC5R (0.43) HTR1AADRA2AADRA2BADRA2CMAOA
SCHEMBL4863063 0.85 TACR1 (0.39) NAMPTCDK4CCND1MEN1MAPT
SCHEMBL5982136 0.84 HDAC1 (0.39) NAMPTMC5RMC3RMC4RPTPN1
SCHEMBL4850317 0.75 CDK4 (0.39) MC5RMC3RMC4RCDK4CCND1
SCHEMBL4855006 0.73 MEN1 (0.45) NAMPTMC5RMC3RCDK4CCND1
SCHEMBL7846898 0.73 SLC6A4 (0.53) NAMPTMC5RMC3RMC4RCDK4
SCHEMBL4851395 0.73 CTNNB1 (0.53) NAMPTCDK4CCND1MEN1MAPT
SCHEMBL4858828 0.72 MEN1 (0.45) NAMPTCDK4CCND1MEN1MAPT
SCHEMBL4856817 0.72 CDK4 (0.41) HTR1AADRA2AADRA2BADRA2CMAOA

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 NAMPT 2313/4885HTR1A 339/4885ADRA2A 29/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NAMPT 2313/4885HTR1A 339/4885ADRA2A 29/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NAMPT 2182/4885HTR1A 2226/4885ADRA2A 135/4885

“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.