SCHEMBL5583088

SCHEMBL5583088

Nc1ccc2c(c1)CCC(CN1CCCCC1)=C2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ACHE P22303 2/20 0.44
DRD2 P14416 1/20 0.37
MAOA P21397 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
Hydrochloric Acid SCHEMBL5582840 0.99 MCHR1 (0.49) MCHR1HTR2CALDH1A1ACHEDRD2
SCHEMBL5377259 0.98 MCHR1 (0.50) MCHR1HTR2CALDH1A1ACHEDRD2
SCHEMBL5582887 0.87 MCHR1 (0.51) MCHR1HTR2C
SCHEMBL5582800 0.86 MCHR1 (0.52) MCHR1HTR2CALDH1A1HRH3
SCHEMBL11524917 0.78 HTR2C (0.52) MCHR1HTR2CALDH1A1DRD2HRH3
SCHEMBL14501782 0.77 MCHR1 (0.49) MCHR1HTR2CALDH1A1
SCHEMBL5904263 0.77 MCHR1 (0.63) MCHR1HTR2C
SCHEMBL14454768 0.77 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL14454750 0.76 HTR2C (0.54) MCHR1HTR2CDRD2
Hydrochloric Acid SCHEMBL5582901 0.76 MCHR1 (0.59) MCHR1HTR2CALDH1A1

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 MCHR1 2/4885HTR2C 195/4885ALDH1A1 1784/4885

“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.