SCHEMBL1763585

SCHEMBL1763585

N=C(NC(=O)OCc1ccccc1)NC(=O)c1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
PARP10 Q53GL7 2/20 0.48
CCR1 P32246 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TGM2 P21980 1/20 0.45
HSD11B1 P28845 2/20 0.43
PRSS12 P56730 1/20 0.43
PARP14 Q460N5 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CHRM4 P08173 1/20 0.42
P2RX7 Q99572 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL1763563 0.86 SLC9A1 (0.51) KMT2A
SCHEMBL1763934 0.82 SLC9A1 (0.54)
SCHEMBL1762989 0.79 SLC9A1 (0.49)
SCHEMBL1763910 0.77 SLC9A1 (0.47)
SCHEMBL1763801 0.77 SLC9A1 (0.55)
SCHEMBL1763096 0.77 PARP10 (0.63) NPC1RAB9AATMPARP10CCR1
SCHEMBL1763651 0.77 SLC9A1 (0.46) HSD11B1
SCHEMBL1763560 0.77 SLC9A1 (0.55)
SCHEMBL1764257 0.77 SLC9A1 (0.47)
SCHEMBL1763706 0.75 RBP4 (0.56) RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 NPC1 236/4885RAB9A 698/4885ATM 4845/4885

“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.