SCHEMBL17700313

SCHEMBL17700313

Cc1ccnc(NCC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.56
NUDT1 P36639 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
FDPS P14324 1/20 0.42
UHRF1 Q96T88 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42

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
SCHEMBL17700067 0.86 NOS2 (0.53) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL17700570 0.86 KMT2A (0.54) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL17700075 0.86 NOS2 (0.53) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL17700752 0.84 NOS2 (0.54) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL17700337 0.83 NOS2 (0.50) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL21337475 0.82 NOS2 (0.47) NOS2NUDT1KMT2AMEN1POLB
SCHEMBL28632009 0.80 NUDT1 (0.51) NOS2NUDT1POLBCYP1A2GPR39
SCHEMBL827847 0.79 NOS2 (0.61) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL11961829 0.76 NOS2 (0.57) NOS2KMT2AMEN1POLBCYP1A2
SCHEMBL8599391 0.75 ALDH1A1 (0.48) NOS2KMT2AMEN1POLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 NOS2 3315/4885NUDT1 2977/4885KMT2A 1359/4885

“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.