SCHEMBL3542170

SCHEMBL3542170

CC1(c2ccccc2)CCC(Br)C(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.37
SLC18A3 Q16572 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
HSD11B1 P28845 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
SCHEMBL13920680 0.81 OPRL1 (0.38) OPRL1SLC18A3MEN1CYP2C9KMT2A
SCHEMBL13933605 0.75 DPP4 (0.34) OPRL1SLC18A3OPRM1ADAMTS5
SCHEMBL855698 0.73 HTT (0.44) OPRL1MEN1CYP2C9KMT2ASMN1; SMN2
SCHEMBL3536541 0.70 MAPT (0.41) MEN1CYP2C9KMT2A
SCHEMBL12540446 0.69 MEN1 (0.53) OPRL1MEN1CYP2C9KMT2ABACE1
SCHEMBL12540448 0.69 MEN1 (0.53) OPRL1MEN1CYP2C9KMT2ABACE1
SCHEMBL425311 0.68 MEN1 (0.45) OPRL1MEN1CYP2C9KMT2ASMN1; SMN2
SCHEMBL11466330 0.67 SLC18A3 (0.46) OPRL1SLC18A3OPRM1OPRK1
SCHEMBL11823390 0.67 SLC18A3 (0.46) OPRL1SLC18A3OPRM1OPRK1
SCHEMBL11831180 0.67 SLC18A3 (0.46) OPRL1SLC18A3OPRM1OPRK1

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 OPRL1 6/4885SLC18A3 629/4885MEN1 4157/4885

“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.