SCHEMBL12194487

SCHEMBL12194487

CC(C)C(=O)C(CN1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.59
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MITF O75030 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL681312 1.00 NTSR1 (0.59) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL681153 1.00 NTSR1 (0.59) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL679611 0.99 NTSR1 (0.56) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL679633 0.96 NTSR1 (0.53) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL681186 0.96 NTSR1 (0.53) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL680117 0.96 NTSR1 (0.53) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL680969 0.87 ALDH1A1 (0.46) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL680129 0.87 MC4R (0.55) NTSR1USP2TSHRPOLBALDH1A1
SCHEMBL12193957 0.87 ALDH1A1 (0.46) NTSR1USP2ALOX15TSHRPOLB
SCHEMBL680125 0.87 MC4R (0.55) NTSR1USP2TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 — — US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 — — 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 NTSR1 3728/4885USP2 3024/4885ALOX15 2811/4885

“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