SCHEMBL3049873

SCHEMBL3049873

CN1CCN(C(=O)c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALOX15 P16050 1/20 0.47
CNR2 P34972 1/20 0.47
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HDAC4 P56524 1/20 0.41
FASN P49327 1/20 0.41
CRBN Q96SW2 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3050395 0.93 KMT2A (0.54) HPGDTSHRMEN1KMT2ACNR2
SCHEMBL3839678 0.89 HPGD (0.50) HPGDTSHRMEN1KMT2ACNR2
SCHEMBL3041970 0.83 KMT2A (0.54) HPGDTSHRMEN1KMT2ACNR2
SCHEMBL948951 0.81 HTR6 (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL13291508 0.81 KMT2A (0.50) HPGDTSHRMEN1KMT2AALOX15
SCHEMBL6394140 0.80 PIK3CD (0.45) MAPTKDR
SCHEMBL1623656 0.80 PIK3CD (0.45) HPGDALDH1A1MAPTTP53KDR
SCHEMBL1057530 0.78 PIK3CD (0.44) HPGDALOX15POLBALDH1A1MAPT
SCHEMBL30066410 0.78 PIK3CD (0.44) HPGDALOX15POLBALDH1A1MAPT
SCHEMBL5351570 0.77 THRB (0.49) TSHRMAPTTP53

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
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 HPGD 2485/4885TSHR 563/4885MEN1 1165/4885

“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.