SCHEMBL3552903

SCHEMBL3552903

Cc1cc(F)cnc1N1CCC(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 4/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTK2B Q14289 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.39
LCK P06239 1/20 0.38
NPC1 O15118 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
SCHEMBL3552005 0.86 OPRK1 (0.43) TP53MAPTLMNAOPRK1SMN1; SMN2
SCHEMBL10278139 0.81 KDM4E (0.50) OPRK1HPGDALDH1A1NPSR1CHRM1
SCHEMBL23625673 0.81 KMT2A (0.44) KMT2ATSHRMEN1PKMTP53
SCHEMBL3436507 0.80 KDM4E (0.51) TP53LMNAOPRK1SMN1; SMN2ALDH1A1
SCHEMBL3436737 0.80 OPRK1 (0.42) OPRK1CHRM1TRPV1
SCHEMBL21262656 0.79 KDM4E (0.47) KMT2ATSHRMEN1MAPTLMNA
SCHEMBL3555340 0.76 MAPT (0.56) KMT2ATSHRMEN1TP53MAPT
SCHEMBL3436735 0.75 OPRK1 (0.43) KMT2AMEN1MAPTOPRK1SMN1; SMN2
SCHEMBL26436004 0.74 TSHR (0.45) KMT2ATSHRMEN1PKMTP53
SCHEMBL10278372 0.73 LMNA (0.49) KMT2ATSHRMEN1PKMTP53

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KMT2A 1707/4885TSHR 867/4885MEN1 4778/4885

“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.