SCHEMBL20160374

SCHEMBL20160374

CCCC(C)N1CCN(C(=O)C(O)C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GPR183 P32249 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ MMP13 P45452 2/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ RET P07949 2/20 0.31
▸ UBE2M P61081 4/20 0.31
▸ DCUN1D1 Q96GG9 4/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL23449305 0.79 PIK3CD (0.48) PARP1KDM4EGPR183HRH3TSHR
SCHEMBL20070338 0.78 CHRM1 (0.44) ROCK2CYP3A4CHRM1HRH3
SCHEMBL19630484 0.75 KDM4E (0.38) PARP1KDM4EUBE2MDCUN1D1TSHR
SCHEMBL11573468 0.75 — —
SCHEMBL20154460 0.75 ROCK2 (0.38) ROCK2CYP3A4CHRM1MMP13MMP1
SCHEMBL22812221 0.75 CHRM1 (0.50) KDM4ECHRM1TSHRMCL1
SCHEMBL18389800 0.72 CYP1A2 (0.48) ROCK2CYP3A4KDM4ECHRM1CHRM3
SCHEMBL20926962 0.72 KDM4E (0.40) PARP1KDM4EHRH3UBE2MDCUN1D1
SCHEMBL8488963 0.72 MMP1 (0.46) ROCK2CYP3A4MMP1MMP2MMP8
SCHEMBL18713080 0.71 NAMPT (0.45) PARP1KDM4EHRH3UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885PARP1 2894/4885

“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.

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