SCHEMBL5582639

SCHEMBL5582639

Nc1ccc2c(c1)CCC(CN1CCOCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.45
HTR1A P08908 4/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.38
THRB P10828 1/20 0.37
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR7 P34969 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5383054 0.87 SIGMAR1 (0.48) SIGMAR1HTR1AOPRM1OPRL1MCHR1
SCHEMBL5582559 0.86 SIGMAR1 (0.47) SIGMAR1HTR1AOPRM1OPRL1MCHR1
SCHEMBL15701677 0.81 SIGMAR1 (0.65) SIGMAR1HTR1AOPRM1OPRL1MCHR1
SCHEMBL7254813 0.79 SIGMAR1 (0.40) SIGMAR1HTR1AOPRM1OPRL1MCHR1
SCHEMBL24740620 0.77 GAA (0.43) OPRM1OPRL1MAPTGAASMN1; SMN2
SCHEMBL5904129 0.74 HRH3 (0.67) SIGMAR1KDM4EHRH3
Hydrochloric Acid SCHEMBL5904180 0.74 HRH3 (0.65) HRH3
SCHEMBL7255512 0.74 DGAT1 (0.57) SMN1; SMN2MCHR1
SCHEMBL7260605 0.73 CYP26A1 (0.47) SIGMAR1HTR1ADRD2DRD3ADRA2A
SCHEMBL520119 0.73 HRH3 (0.44) OPRL1MAPTGAASMN1; SMN2GRIN2B

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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
WO-2003087046-A1 NOVEL AMINOTETRALINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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 (1 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 SIGMAR1 72/4885HTR1A 73/4885OPRM1 124/4885

“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.