SCHEMBL6313377

SCHEMBL6313377

c1cc2cc3c(cc2[nH]1)CNCC3

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CD44 P16070 1/20 0.42
MAOB P27338 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
GPR84 Q9NQS5 1/20 0.41
AHR P35869 1/20 0.40

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
SCHEMBL30481091 1.00 PNMT (0.44) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL6308292 1.00 PNMT (0.44) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL5912311 0.90 CYP2D6 (0.40) PNMTADRA2AADRA2BADRA2CGPR84
SCHEMBL25405473 0.79 ASIC3 (0.55) PNMTASIC3CD44MAOBDRD2
SCHEMBL24086184 0.79 GPR84 (0.48) GPR84AHR
SCHEMBL3247336 0.75 PNMT (0.61) PNMTADRA2AADRA2BADRA2CASIC3
1,2,3,4-Tetrahydroisoquinoline SCHEMBL3328852 0.74 PNMT (0.66) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL6186961 0.73 DRD2 (0.43) DRD2GPR84AHR
SCHEMBL31269594 0.71 HTR2C (0.40) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL24258510 0.70 NPC1 (0.47) PNMTADRA2AADRA2BADRA2CASIC3

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 PNMT 463/4885ADRA2A 223/4885ADRA2B 241/4885

“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.