SCHEMBL681203

SCHEMBL681203

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TSHR P16473 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL680805 0.91 HSD11B1 (0.37) ALDH1A1OPRM1SMN1; SMN2
SCHEMBL12168920 0.87 LMNA (0.46) ALDH1A1MEN1KMT2ATSHRUSP2
SCHEMBL12168921 0.87 LMNA (0.46) ALDH1A1MEN1KMT2ATSHRUSP2
SCHEMBL681169 0.86 SIGMAR1 (0.41) HTR7ALDH1A1MEN1KMT2ATSHR
SCHEMBL680142 0.86 SIGMAR1 (0.41) HTR7ALDH1A1MEN1KMT2ATSHR
SCHEMBL20277960 0.86 HTR2A (0.35) ALDH1A1DRD3SMN1; SMN2
SCHEMBL681358 0.84 TRPV1 (0.42) ALDH1A1KMT2ATRPV1
SCHEMBL681197 0.84 TRPV1 (0.42) ALDH1A1KMT2ATRPV1
SCHEMBL681360 0.83 TP53 (0.46) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL681599 0.82 EPHX2 (0.45) KCNH2

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 HTR7 1451/4885ALDH1A1 1715/4885THRB 2837/4885

“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.

Send feedback