SCHEMBL5582559

SCHEMBL5582559

Nc1ccc2c(c1)CCC(CN1CCCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
HTR1A P08908 3/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
HRH3 Q9Y5N1 4/20 0.44
HRH1 P35367 1/20 0.43
MCHR1 Q99705 3/20 0.43
BACE1 P56817 1/20 0.42
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GRIN2B Q13224 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
SCHEMBL5383054 0.99 SIGMAR1 (0.48) SIGMAR1HTR1AOPRM1OPRL1HRH3
SCHEMBL5582639 0.86 SIGMAR1 (0.45) SIGMAR1HTR1AOPRM1OPRL1HRH3
SCHEMBL4621851 0.83 CYP19A1 (0.52) SIGMAR1HTR1AOPRM1OPRL1HRH3
Hydrochloric Acid SCHEMBL4622114 0.82 CYP19A1 (0.51) SIGMAR1HTR1AOPRM1OPRL1HRH3
SCHEMBL5904201 0.81 CYP19A1 (0.53) SIGMAR1HTR1AOPRM1OPRL1HRH3
SCHEMBL14454747 0.80 SIGMAR1 (0.68) SIGMAR1HTR1AOPRM1OPRL1MCHR1
Bromide SCHEMBL5904342 0.80 CYP19A1 (0.52) SIGMAR1HTR1AOPRM1OPRL1HRH3
Hydrochloric Acid SCHEMBL4622628 0.79 SIGMAR1 (0.68) SIGMAR1HTR1AHRH3HRH1MCHR1
SCHEMBL7254813 0.79 SIGMAR1 (0.40) SIGMAR1HTR1AOPRM1OPRL1MCHR1
SCHEMBL14454746 0.79 SIGMAR1 (0.70) SIGMAR1HTR1AOPRM1OPRL1HRH3

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 6 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
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.