SCHEMBL20249341

SCHEMBL20249341

CC(C)(O)CN1CCC(=O)N(c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
GALR3 O60755 1/20 0.35
TSHR P16473 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
AKR1C3 P42330 5/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
TP53 P04637 1/20 0.33
ACVR1 Q04771 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL20249326 0.89 AR (0.36) HTTLMNAGALR3TSHRPARP1
SCHEMBL20037547 0.87 DRD3 (0.43) PIK3CAMTORAKR1C3CDK4CCND1
SCHEMBL20038204 0.86 PIK3CA (0.34) PIK3CAMTORAKR1C3CDK4CCND1
SCHEMBL20249472 0.86 GAA (0.38) HTTLMNAGALR3TSHRAKR1C3
SCHEMBL20249457 0.84 KCNH2 (0.35) HTTLMNAGALR3TSHRPARP1
SCHEMBL20249440 0.84 KCNH2 (0.35) HTTLMNAGALR3TSHRPARP1
SCHEMBL20249324 0.83 NPC1 (0.42) AKR1C3NPC1
SCHEMBL20249319 0.79 DRD3 (0.35) HTTLMNAGALR3TSHRPARP1
SCHEMBL17207184 0.78 AKR1C3 (0.51) HTTLMNAGALR3TSHRAKR1C3
SCHEMBL20249309 0.77 GAA (0.37) HTTLMNAGALR3TSHRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HTT 3754/4885LMNA 3947/4885GALR3 4347/4885

“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.