SCHEMBL10158804

SCHEMBL10158804

CCN(CC)CCCNC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TSHR P16473 2/20 0.47
DRD2 P14416 6/20 0.46
ALOX15 P16050 1/20 0.46
CHRM2 P08172 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AVPR1A P37288 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM1 P11229 2/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL12371655 0.86 HTT (0.44) DRD2HTTSMN1; SMN2NPSR1MEN1
SCHEMBL6543328 0.79 TSHR (0.61) ATMTSHRALOX15HTTSMN1; SMN2
SCHEMBL2468078 0.78 TSHR (0.60) ATMTSHRALOX15HTTSMN1; SMN2
SCHEMBL654744 0.76 KMT2A (0.52) ATMTSHRDRD2ALOX15HTT
SCHEMBL654813 0.76 KMT2A (0.59) ATMTSHRDRD2ALOX15NPSR1
SCHEMBL653532 0.76 KMT2A (0.54) ATMTSHRDRD2ALOX15HTT
SCHEMBL2495108 0.75 TSHR (0.59) ATMTSHRALOX15
SCHEMBL2470119 0.75 TSHR (0.59) ATMTSHRALOX15HTTSMN1; SMN2
SCHEMBL4431260 0.75 KMT2A (0.51) ATMTSHRDRD2ALOX15HTT
SCHEMBL654889 0.75 KMT2A (0.53) ATMTSHRDRD2ALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 ATM 534/4885TSHR 3177/4885DRD2 2590/4885

“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.