SCHEMBL17546274

SCHEMBL17546274

CCC(C)C(O)C(=O)N1CCC(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
DPP4 P27487 6/20 0.48
DPP8 Q6V1X1 4/20 0.48
DPP7 Q9UHL4 4/20 0.48
DPP9 Q86TI2 3/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.40
EPHX2 P34913 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
POLB P06746 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL17540494 0.86 DPP4 (0.45) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL17546275 0.82 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL16368739 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL16435174 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL13901271 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL13438120 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL2606047 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL10280123 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL10328273 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL14417829 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1HPGD

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-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885MEN1 3968/4885KMT2A 1687/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885MEN1 3968/4885KMT2A 1687/4885

“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.