SCHEMBL684441

SCHEMBL684441

CCC(=O)C1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
OPRM1 P35372 2/20 0.48
HDAC4 P56524 1/20 0.43
HSD11B1 P28845 9/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKT1 P31749 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
SCHEMBL684402 0.91 DRD2 (0.45) DRD2OPRM1HDAC4HSD11B1ALDH1A1
SCHEMBL13545175 0.89 HSD11B1 (0.51) OPRM1HDAC4HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2550 0.85 HDAC4 (0.54) OPRM1HDAC4HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL4325002 0.84 OPRM1 (0.66) OPRM1
SCHEMBL13267655 0.84 HDAC4 (0.57) OPRM1HDAC4HSD11B1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1309302 0.83 OPRM1 (0.64) OPRM1
SCHEMBL12104066 0.82 OPRM1 (0.47) OPRM1
SCHEMBL652508 0.82 DRD2 (0.56) DRD2OPRM1HDAC4HSD11B1AKT1
SCHEMBL27594934 0.82 DRD2 (0.59) DRD2OPRM1HDAC4HSD11B1ALDH1A1
SCHEMBL4873297 0.81 OPRM1 (0.74) DRD2OPRM1

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-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 (4 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 DRD2 3067/4885OPRM1 3568/4885HDAC4 2161/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885OPRM1 3168/4885HDAC4 3708/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK DRD2 4389/4885OPRM1 4477/4885HDAC4 3489/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA DRD2 4264/4885OPRM1 4473/4885HDAC4 3602/4885

“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.