SCHEMBL19355209

SCHEMBL19355209

CCOC(=O)CCC(NC(=O)OC(C)(C)C)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CTSK P43235 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL16968587 0.81 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3363650 0.78 AAK1 (0.43) CTSKAAK1KMT2ACTSL
SCHEMBL1414251 0.78 AAK1 (0.43) CTSKAAK1KMT2ACTSL
SCHEMBL21277689 0.77 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3120243 0.75 AAK1 (0.43) CTSKAAK1KMT2AMEN1CTSL
SCHEMBL26782180 0.75 CA2 (0.39) CTSKAAK1KMT2AMEN1TSHR
SCHEMBL3117394 0.75 AAK1 (0.44) CTSKAAK1KMT2AALDH1A1CTSL
SCHEMBL22862622 0.74 AAK1 (0.46) CTSKAAK1KMT2A
SCHEMBL28964316 0.74 HDAC4 (0.44) CTSKAAK1KMT2AMEN1
SCHEMBL25989692 0.73 AAK1 (0.42) CTSKAAK1KMT2ATSHR

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-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-09-14 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-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CYP1A2 128/4885CYP2C9 399/4885CYP2C19 451/4885

“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.