SCHEMBL5582743

SCHEMBL5582743

N#CC1=C(CN2CCCC2)CCc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 6/20 0.35
CHKA P35790 2/20 0.34
DRD2 P14416 1/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL5582836 0.80 ACHE (0.43) ACHEALDH1A1CASP1CASP7HSD17B10
SCHEMBL5582662 0.70 LMNA (0.49) CASP1CASP7HSD17B10LMNAMAPT
SCHEMBL6658043 0.65 CASP1 (0.71) ALDH1A1CASP1CASP7HSD17B10MEN1
SCHEMBL5377259 0.65 MCHR1 (0.50) ACHEALDH1A1DRD2MAOA
SCHEMBL5583088 0.64 MCHR1 (0.50) ACHEALDH1A1HRH3DRD2MAOA
Hydrochloric Acid SCHEMBL5582840 0.63 MCHR1 (0.49) ACHEALDH1A1HRH3DRD2MAOA
SCHEMBL2676164 0.62 ATAD2 (0.63) DRD2MEN1MAPTKMT2ANPSR1
SCHEMBL5582749 0.61 ACHE (0.41) ACHEALDH1A1DRD2MAOAMEN1
SCHEMBL2675486 0.61 ATAD2 (0.62) ALDH1A1DRD2MEN1MAPTKMT2A
SCHEMBL10670021 0.61 KDM4E (0.42) ALDH1A1HRH3SIGMAR1

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 ACHE 4858/4885ALDH1A1 1784/4885CASP1 3798/4885

“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.