SCHEMBL15628591

SCHEMBL15628591

CO[C@H](c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)[C@H](N)CF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.43
▸ IL2 P60568 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ TLR9 Q9NR96 3/20 0.41
▸ TLR8 Q9NR97 3/20 0.41
▸ TLR7 Q9NYK1 3/20 0.41
▸ RET P07949 3/20 0.40
▸ METAP2 P50579 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 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
SCHEMBL13527621 0.82 GPR119 (0.39) GPR119KCNH2CACNA1CASIC3IL2
SCHEMBL20026091 0.82 GPR119 (0.39) GPR119KCNH2CACNA1CASIC3IL2
SCHEMBL15628603 0.80 ADRB1 (0.48) TGFBR1
SCHEMBL19062436 0.76 PIK3CD (0.35) —
SCHEMBL20026213 0.76 PIK3CD (0.35) —
SCHEMBL19063237 0.76 PIK3CD (0.35) —
SCHEMBL20026327 0.75 MKNK1 (0.46) KCNH2
SCHEMBL20026168 0.75 MKNK1 (0.31) —
SCHEMBL20026159 0.75 MAPT (0.36) EGFR
SCHEMBL12911529 0.73 TGFBR1 (0.57) GPR119KCNH2CACNA1CASIC3IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — 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 (2 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP GPR119 399/4885KCNH2 4268/4885CACNA1C 4835/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP GPR119 399/4885KCNH2 4268/4885CACNA1C 4835/4885

“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.

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