SCHEMBL4983144

SCHEMBL4983144

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BAZ2A Q9UIF9 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22869165 0.90 MEN1 (0.70) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL4984887 0.87 MEN1 (0.53) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL14169330 0.79 MEN1 (0.48) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL4984910 0.76 MEN1 (0.43) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL14538690 0.76 MAPK1 (0.43) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL4981429 0.75 MEN1 (0.43) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL5169008 0.74 MEN1 (0.51) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL20640304 0.74 MEN1 (0.50) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL1811353 0.73 MEN1 (0.50) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL24618311 0.71 MEN1 (0.48) MEN1KMT2AMAPK1POLBOPRM1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7589085-B2 Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-7589085-B2 Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-7514431-B2 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-04-07 US disclosed
US-7514431-B2 Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-04-07 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
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
EP-1701724-A4 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-11-14 EP disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
EP-1558243-A4 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
EP-1701724-A2 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2006-09-20 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-2005067502-A2 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2005-07-28 WO 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 (3 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 MEN1 4493/4885KMT2A 3816/4885MAPK1 801/4885
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCR9 MEN1 3827/4885KMT2A 2967/4885MAPK1 779/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 MEN1 3879/4885KMT2A 4152/4885MAPK1 833/4885

“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.