SCHEMBL6307347

SCHEMBL6307347

c1cc2cc3c(cc2cn1)NCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
IKBKB O14920 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 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
SCHEMBL6308105 1.00 MAPT (0.52) MAPTCA12CA1CA2CA9
SCHEMBL13154637 0.90 CHRNB2 (0.43) MAPTIKBKBALDH1A1LMNATP53
SCHEMBL13154655 0.90 CHRNB2 (0.43) MAPTIKBKBALDH1A1LMNATP53
SCHEMBL1437934 0.80 ALDH1A1 (0.49) MAPTCA12CA1CA2CA9
SCHEMBL15290388 0.80 SIGMAR1 (0.50) MAPTSIGMAR1IKBKBHASPINPIM1
SCHEMBL6312502 0.80 IKBKB (0.46) IKBKBROCK1CHUKHASPINPIM1
SCHEMBL29597435 0.74 SIGMAR1 (0.54) MAPTCA12CA1CA2CA9
SCHEMBL987978 0.74 SIGMAR1 (0.54) MAPTCA12CA1CA2CA9
SCHEMBL3414893 0.74 SIGMAR1 (0.54) MAPTCA12CA1CA2CA9
Isoquinoline SCHEMBL3545088 0.74 MAPT (0.44) MAPTCA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 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 (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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 MAPT 3638/4885CA12 3925/4885CA1 3389/4885

“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.