SCHEMBL14909550

SCHEMBL14909550

CC(C)C[C@H](c1ncc[nH]1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 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
SCHEMBL14908874 0.87 TSHR (0.42) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL14910876 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL2693545 0.79 CYP2D6 (0.36) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL8904409 0.73 TAAR1 (0.36) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL12011595 0.70 NISCH (0.49) ADRA2AADRA2BADRA2CTAAR1CYP2D6
SCHEMBL23890513 0.69 ADRA2A (0.45) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL7622887 0.69 TAAR1 (0.45) MEN1KMT2ATAAR1ALDH1A1POLB
SCHEMBL1701279 0.69 KMT2A (0.76) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL14923445 0.68 AAK1 (0.61) MMP1MMP3MMP7ATM
SCHEMBL7466643 0.68 AAK1 (0.61) MMP1MMP3MMP7ATM

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
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MEN1 2870/4885KMT2A 1162/4885ADRA2A 2131/4885

“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.