SCHEMBL13870748

SCHEMBL13870748

CCn1nc(CCNC(=O)NC)cc1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
MTNR1B P49286 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL13870757 0.89 MTNR1A (0.38) MTNR1AMTNR1BKMT2ASMN1; SMN2ADORA2A
SCHEMBL13870760 0.87 MTNR1A (0.36) MTNR1AKMT2AALDH1A1KDM4EMAPT
SCHEMBL13870766 0.86 MTNR1A (0.35) MTNR1AMTNR1BKMT2ASMN1; SMN2TP53
SCHEMBL13870783 0.85 HTT (0.35) SMN1; SMN2ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13870759 0.85 MTNR1A (0.37) MTNR1AMTNR1BKMT2ASMN1; SMN2TP53
SCHEMBL13870744 0.84 SMN1; SMN2 (0.39) MTNR1AMTNR1BKMT2ASMN1; SMN2TP53
SCHEMBL13870763 0.84 KCNJ6 (0.34) MTNR1AMTNR1BMAPT
SCHEMBL13870764 0.83 ALDH1A1 (0.49) KMT2ASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL13870768 0.82 MTNR1A (0.34) MTNR1AMTNR1BTP53
SCHEMBL13870769 0.82 KMT2A (0.34) MTNR1ANOS3NOS1NOS2KMT2A

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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB MTNR1A 821/4885MTNR1B 592/4885FPR3 2667/4885

“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.