SCHEMBL684665

SCHEMBL684665

CCC(=O)C(CN1CC[C@@H](O)C1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ CYP2D6 P10635 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ WDR91 A4D1P6 1/20 0.40

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
SCHEMBL684411 1.00 OPRK1 (0.44) OPRK1OPRM1OPRD1CYP2D6ALDH1A1
SCHEMBL12104124 0.92 NTSR1 (0.43) ALDH1A1
SCHEMBL12219559 0.90 NTSR1 (0.40) ALDH1A1
SCHEMBL12219419 0.88 AKT1 (0.43) ALDH1A1
SCHEMBL12188580 0.87 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6WDR91
SCHEMBL16131646 0.87 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6WDR91
SCHEMBL16131645 0.87 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6WDR91
SCHEMBL14303930 0.85 OPRK1 (0.44) OPRK1OPRM1OPRD1CYP2D6WDR91
SCHEMBL680786 0.85 OPRK1 (0.44) OPRK1OPRM1OPRD1CYP2D6WDR91
SCHEMBL14310835 0.85 OPRK1 (0.44) OPRK1OPRM1OPRD1CYP2D6WDR91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-14 — — US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 — — US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 — — 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-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 — — US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 — — US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 — — 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 (5 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 OPRK1 2321/4885OPRM1 3568/4885OPRD1 3184/4885
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA OPRK1 3250/4885OPRM1 4543/4885OPRD1 4194/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRK1 1574/4885OPRM1 3168/4885OPRD1 2512/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK OPRK1 3213/4885OPRM1 4477/4885OPRD1 4164/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA OPRK1 3069/4885OPRM1 4473/4885OPRD1 4074/4885

“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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