SCHEMBL3901748

SCHEMBL3901748

N[C@H]1CC[C@H](C(=O)Nc2cc(F)c(F)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ROCK2 O75116 4/20 0.47
SMYD3 Q9H7B4 2/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
ULK1 O75385 4/20 0.40
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3901746 1.00 KMT2A (0.50) KMT2AROCK2SMYD3TSHRMEN1
SCHEMBL15225346 1.00 KMT2A (0.50) KMT2AROCK2SMYD3TSHRMEN1
SCHEMBL24251898 0.74 KMT2A (0.56) KMT2ATSHRMEN1MAPK14TP53
SCHEMBL30082388 0.74 KMT2A (0.56) KMT2ATSHRMEN1MAPK14TP53
SCHEMBL13972908 0.72 SMN1; SMN2 (0.59) KMT2ATSHRMEN1ALDH1A1HDAC3
SCHEMBL3907863 0.72 BTK (0.47) KMT2ATSHRMEN1GAA
SCHEMBL5548398 0.72 BTK (0.47) KMT2ATSHRMEN1GAA
SCHEMBL13972725 0.71 KMT2A (0.56) KMT2ATSHRMEN1TP53ALDH1A1
SCHEMBL3898669 0.71 ALDH1A1 (0.68) KMT2AROCK2TSHRMEN1ALDH1A1
SCHEMBL3898667 0.71 ALDH1A1 (0.68) KMT2AROCK2TSHRMEN1ALDH1A1

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
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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 (3 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 KMT2A 3383/4885ROCK2 4238/4885SMYD3 4565/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 KMT2A 3071/4885ROCK2 3845/4885SMYD3 4430/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 KMT2A 3071/4885ROCK2 3845/4885SMYD3 4430/4885

“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.