SCHEMBL4984887

SCHEMBL4984887

CCOC(=O)C1(c2csc(C)n2)CC=CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
OPRM1 P35372 6/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4983144 0.87 MEN1 (0.68) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL4984162 0.80 MEN1 (0.51) MEN1KMT2AMAPK1POLBOPRM1
SCHEMBL14169330 0.80 MEN1 (0.48) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL4984910 0.77 MEN1 (0.43) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL14538690 0.77 MAPK1 (0.43) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL22869165 0.77 MEN1 (0.70) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL4981429 0.76 MEN1 (0.43) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL5169008 0.75 MEN1 (0.51) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL1811353 0.74 MEN1 (0.50) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL24618311 0.72 MEN1 (0.48) MEN1KMT2AMAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1558243-A4 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1558243-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041161-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 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-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCR9 MEN1 3827/4885KMT2A 2967/4885MAPK1 779/4885

“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.