SCHEMBL4804141

SCHEMBL4804141

COC(=O)[C@@H]1C[C@H](C(=O)O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.49
FKBP1A P62942 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.45
HTT P42858 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 1/20 0.44
GAA P10253 1/20 0.44
CPB1 P15086 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4804145 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL4804132 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL7819386 0.94 POLB (0.50) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL8525578 0.94 POLB (0.50) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL8482453 0.94 POLB (0.50) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL4808093 0.94 POLB (0.50) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL8524021 0.94 POLB (0.50) SMN1; SMN2NPC1RAB9APOLBFKBP1A
SCHEMBL8481499 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBNPSR1
SCHEMBL8477065 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBNPSR1
SCHEMBL8479641 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 WO disclosed
US-7425633-B2 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-09-16 US disclosed
US-20070082932-A1 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-04-12 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 (3 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-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 SMN1; SMN2 958/4885NPC1 2943/4885RAB9A 1239/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 SMN1; SMN2 958/4885NPC1 2943/4885RAB9A 1239/4885
US-20070082932-A1 Pyrrolidine compounds DPP4, DPP7, DPP9 SMN1; SMN2 4437/4885NPC1 3371/4885RAB9A 969/4885

“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.