SCHEMBL680194

SCHEMBL680194

CC(C)C(=O)[C@H](CN1CCN(C)CC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.42
▸ NR1H2 P55055 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ FFAR1 O14842 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
SCHEMBL679699 1.00 MC4R (0.42) MC4RNR1H2MAPTMC1RMAPK1
SCHEMBL680794 0.90 PDE2A (0.39) MC4RMAPK1CDK2EPHX2PDE2A
SCHEMBL679705 0.90 PDE2A (0.39) MC4RMAPK1CDK2EPHX2PDE2A
SCHEMBL684942 0.88 MC4R (0.41) MC4RNR1H2MAPTMC1RMAPK1
SCHEMBL684729 0.88 MC4R (0.41) MC4RNR1H2MAPTMC1RMAPK1
SCHEMBL2738568 0.87 MC4R (0.41) MC4RNR1H2MAPTMC1RMAPK1
SCHEMBL2738567 0.87 MC4R (0.41) MC4RNR1H2MAPTMC1RMAPK1
SCHEMBL681291 0.87 EPHX2 (0.41) MAPK1EPHX2PDE2A
SCHEMBL680793 0.87 EPHX2 (0.41) MAPK1EPHX2PDE2A
SCHEMBL681197 0.87 TRPV1 (0.42) EPHX2PDE2AALDH1A1

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — US 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 (2 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MC4R 3860/4885NR1H2 1661/4885MAPT 3868/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MC4R 3860/4885NR1H2 1661/4885MAPT 3868/4885

“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.

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