SCHEMBL680142

SCHEMBL680142

CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTR7 P34969 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GPR139 Q6DWJ6 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
SCHEMBL681169 1.00 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2HPGDHTR7ALDH1A1
SCHEMBL679673 0.91 TACR2 (0.39) ALDH1A1AKT1AKT2AKT3GPR139
SCHEMBL680753 0.91 TACR2 (0.39) ALDH1A1AKT1AKT2AKT3GPR139
SCHEMBL12168921 0.87 LMNA (0.46) SIGMAR1SMN1; SMN2HPGDALDH1A1TRPV1
SCHEMBL12168920 0.87 LMNA (0.46) SIGMAR1SMN1; SMN2HPGDALDH1A1TRPV1
SCHEMBL681338 0.87 HRH3 (0.42) HPGDAKT1USP2
SCHEMBL681203 0.86 HTR7 (0.39) SIGMAR1SMN1; SMN2HTR7ALDH1A1TRPV1
SCHEMBL681336 0.86 MC4R (0.48) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL681298 0.86 MC4R (0.48) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL681256 0.85 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — 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 (1 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SIGMAR1 2917/4885SMN1; SMN2 3564/4885HPGD 1065/4885

“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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