SCHEMBL14192012

SCHEMBL14192012

CC[C@H](C(=O)NCc1cc(C2CC2)cnc1OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.44
CFTR P13569 2/20 0.43
THRB P10828 1/20 0.43
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.39
GPR88 Q9GZN0 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
SCHEMBL14192016 0.90 DGAT2 (0.39) GAACFTRALDH1A1LMNA
SCHEMBL14192022 0.90 GAA (0.38) GAAMEN1KMT2APOLBCFTR
SCHEMBL27679154 0.90 DGAT2 (0.39) GAACFTRALDH1A1LMNA
SCHEMBL27698243 0.90 IDO1 (0.42) GAAMEN1KMT2ACFTRALDH1A1
SCHEMBL14192020 0.90 IDO1 (0.42) GAAMEN1KMT2ACFTRALDH1A1
SCHEMBL28769271 0.90 GAA (0.38) GAAMEN1KMT2APOLBCFTR
SCHEMBL27698248 0.90 KCNQ2 (0.40) GAAMEN1KMT2ACFTRALDH1A1
SCHEMBL27679152 0.90 DGAT2 (0.41) GAAMEN1KMT2ACFTRDHODH
SCHEMBL14192019 0.90 KCNQ2 (0.40) GAAMEN1KMT2ACFTRALDH1A1
SCHEMBL14192014 0.90 DGAT2 (0.41) GAAMEN1KMT2ACFTRDHODH

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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 GAA 3197/4885MEN1 2668/4885KMT2A 1791/4885

“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.