SCHEMBL2997902

SCHEMBL2997902

CC(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.51
GPR119 Q8TDV5 7/20 0.49
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 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
SCHEMBL30228202 0.92 GPR119 (0.45) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL1401260 0.88 HPGD (0.53) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL5570674 0.86 HPGD (0.51) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL7986517 0.85 LIMK2 (0.48) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL5135436 0.83 HPGD (0.44) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL18428924 0.83 HPGD (0.46) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL25580911 0.82 HPGD (0.48) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL27391556 0.81 HPGD (0.50) LIMK2GPR119HPGDKDM4EPKM
SCHEMBL14222486 0.81 ACHE (0.46) GPR119HPGDKDM4EPKMFAAH
SCHEMBL6152127 0.81 HPGD (0.49) LIMK2GPR119HPGDKDM4EPKM

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-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 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 (2 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R LIMK2 4076/4885GPR119 8/4885HPGD 1286/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 LIMK2 455/4885GPR119 1715/4885HPGD 2698/4885

“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.