SCHEMBL4324477

SCHEMBL4324477

CCCCCC12CCC(C(=O)Cl)(CC1)CC2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
IDH1 O75874 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TP53 P04637 1/20 0.35
SCN9A Q15858 2/20 0.34
ALOX5 P09917 1/20 0.33
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
EPHX2 P34913 1/20 0.32
AKR1B1 P15121 1/20 0.31

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
SCHEMBL13698864 0.86 TSHR (0.32) CCR2ALDH1A1TSHRTP53
SCHEMBL836834 0.82 CCR2 (0.44) CCR2ALDH1A1TSHRIDH1DPP4
SCHEMBL15177359 0.82 CCR2 (0.44) CCR2ALDH1A1TSHRIDH1DPP4
SCHEMBL9476266 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1
SCHEMBL9476457 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1
SCHEMBL17284890 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1DPP4
SCHEMBL28827324 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1DPP4
SCHEMBL9652423 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1
Hydrochloric Acid SCHEMBL11038223 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1DPP4
SCHEMBL9479868 0.81 CCR2 (0.43) CCR2ALDH1A1TSHRIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59216850-A None JP disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004058730-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 US disclosed
US-4694098-A WIDE MESOMORPHIC RANGE HITACHI, LTD. (JP) 1987-09-15 US disclosed
EP-0058981-B1 COLORLESS LIQUID CRYSTALLINE COMPOUNDS Hitachi, Ltd. (JP) 1986-01-22 EP disclosed
US-4564694-A CYCLOHEXYL AND PHENYL RING-CONTAINING ALIPHATIC ETHERS HITACHI, LTD. (JP) 1986-01-14 US disclosed
JP-S59216850-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE HITACHI LTD 1984-12-06 JP disclosed
EP-0058981-A2 Colorless liquid crystalline compounds Hitachi, Ltd. (JP) 1982-09-01 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 (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-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 CCR2 4617/4885ALDH1A1 145/4885TSHR 2310/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 CCR2 4637/4885ALDH1A1 146/4885TSHR 2320/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 CCR2 4617/4885ALDH1A1 145/4885TSHR 2310/4885

“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.