SCHEMBL12436696

SCHEMBL12436696

CC(=O)[C@H]1CC[C@H](NC(=O)CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 1/20 0.38
SELL P14151 2/20 0.38
SELP P16109 2/20 0.38
SELE P16581 2/20 0.38
LMNA P02545 2/20 0.38
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL12513739 1.00 KMT2A (0.40) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL12436723 0.86 MTNR1A (0.44) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL22721998 0.86 MTNR1A (0.44) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL2093857 0.85
SCHEMBL2951976 0.81 POLB (0.45) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL2951974 0.81 POLB (0.45) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL3401936 0.80 TSHR (0.45) KMT2ASMN1; SMN2NPSR1EPHX2SELL
SCHEMBL12513672 0.79 NPSR1 (0.66) KMT2ASMN1; SMN2NPSR1EPHX2LMNA
SCHEMBL12436713 0.79 NPSR1 (0.66) KMT2ASMN1; SMN2NPSR1EPHX2LMNA
SCHEMBL14492252 0.79 EPHX1 (0.53) SMN1; SMN2NPSR1LMNAEPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B KMT2A 1146/4885SMN1; SMN2 1248/4885NPSR1 20/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR KMT2A 288/4885SMN1; SMN2 4526/4885NPSR1 17/4885

“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.