SCHEMBL6344332

SCHEMBL6344332

COC(=O)C[C@@H](C)C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 2/20 0.41
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL12524298 1.00 MMP1 (0.42) MMP1MMP2MMP8ALDH1A1KDM4E
SCHEMBL12259514 0.84 HSD17B10 (0.49) ALDH1A1KDM4EMAPTCYP3A4CYP2C19
SCHEMBL8276017 0.80 MMP1 (0.40) MMP1MMP2MMP8ALDH1A1KDM4E
SCHEMBL16574605 0.79 REN (0.51) MMP1MMP2MMP8ALDH1A1EPHX2
SCHEMBL25659776 0.79 MMP1 (0.41) MMP1MMP2MMP8ALDH1A1EPHX2
SCHEMBL16578236 0.79 MMP1 (0.42) MMP1MMP2MMP8ALDH1A1KDM4E
SCHEMBL16574601 0.78 DPP7 (0.45) MMP1MMP2MMP8ALDH1A1EPHX2
SCHEMBL31686221 0.78 MMP1 (0.41) MMP1MMP2MMP8ALDH1A1KDM4E
SCHEMBL18959431 0.78 MMP1 (0.41) MMP1MMP2MMP8ALDH1A1KDM4E
SCHEMBL18959405 0.78 MMP1 (0.41) MMP1MMP2MMP8ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 MMP1 4788/4885MMP2 4156/4885MMP8 4480/4885

“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.