SCHEMBL5582575

SCHEMBL5582575

CN(C)CC1CCc2ccc(O)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.60
DRD3 P35462 9/20 0.60
DRD4 P21917 6/20 0.60
CYP19A1 P11511 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 1/20 0.54
ADRB2 P07550 1/20 0.54
CYP2D6 P10635 1/20 0.54
CASP1 P29466 1/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51
MCHR1 Q99705 4/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47

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 SCHEMBL4621061 0.98 DRD2 (0.59) DRD2DRD3DRD4CYP19A1MEN1
SCHEMBL4622647 0.94 CYP19A1 (0.56) DRD2DRD3DRD4CYP19A1CA1
Hydrochloric Acid SCHEMBL4622734 0.92 CYP19A1 (0.55) DRD2DRD3DRD4CYP19A1CA1
SCHEMBL14922880 0.83 MCHR1 (0.52) DRD2DRD3DRD4MCHR1
SCHEMBL1951732 0.81 MCHR1 (0.53) DRD2DRD3DRD4MCHR1
SCHEMBL3466716 0.81 MCHR1 (0.53) DRD2DRD3DRD4MCHR1
SCHEMBL3466219 0.81 MCHR1 (0.53) DRD2DRD3DRD4MCHR1
SCHEMBL4621898 0.79 CYP19A1 (0.53) DRD2DRD3DRD4CYP19A1MEN1
SCHEMBL5582712 0.79 CYP19A1 (0.53) DRD2DRD3DRD4CYP19A1MEN1
SCHEMBL3144639 0.79 DRD3 (0.62) DRD2DRD3DRD4CYP19A1MEN1

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 4 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-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 DRD2 170/4885DRD3 145/4885DRD4 392/4885

“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.