SCHEMBL6047288

SCHEMBL6047288

O=C(N1CCC(O)(c2ccccc2)CC1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
HSD11B1 P28845 1/20 0.55
OPRL1 P41146 8/20 0.54
OPRM1 P35372 5/20 0.54
OPRK1 P41145 5/20 0.54
OPRD1 P41143 3/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 2/20 0.53
DRD2 P14416 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL795975 0.89 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL10515682 0.85 USP2 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL13589553 0.82 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL23706089 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL6159060 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL27138879 0.81 CCR1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL12702339 0.81 OPRK1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL18701601 0.81 MEN1 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL10760411 0.81 OPRM1 (0.66) ALDH1A1CA12CA1CA2CA7
SCHEMBL27144674 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7

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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 ALDH1A1 360/4885CA12 4833/4885CA1 3644/4885

“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.