SCHEMBL13738840

SCHEMBL13738840

CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
CCR5 P51681 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP30 Q70CQ3 1/20 0.44
HTT P42858 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
SCHEMBL13739933 1.00 SIGMAR1 (0.56) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL3671431 1.00 SIGMAR1 (0.56) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL17700060 0.93 SIGMAR1 (0.57) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL785198 0.92 SIGMAR1 (0.58) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL25257016 0.92 SIGMAR1 (0.61) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL25257018 0.92 SIGMAR1 (0.61) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL13012605 0.91 SMN1; SMN2 (0.57) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL30829344 0.90 SIGMAR1 (0.54) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL7761338 0.86 USP30 (0.62) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A
SCHEMBL28030595 0.86 USP30 (0.62) SIGMAR1CCR5SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
US-9561209-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-01-05 US disclosed
EP-2705030-B1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-07-27 EP disclosed
US-9290472-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-03-22 US disclosed
US-20160058731-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2016-03-03 US disclosed
EP-2916833-A1 METHODS OF TREATING LIVER DISEASES Zafgen, Inc. (US) 2015-09-16 EP disclosed
WO-2014071368-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2014-05-08 WO disclosed
US-20140088078-A1 Partially Saturated Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. (US) 2014-03-27 US disclosed
WO-2012154676-A9 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-27 WO disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO 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 (6 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-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC SIGMAR1 1234/4885CCR5 2793/4885SMN1; SMN2 3316/4885
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SIGMAR1 2348/4885CCR5 2468/4885SMN1; SMN2 4364/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 SIGMAR1 2348/4885CCR5 2468/4885SMN1; SMN2 4364/4885
US-20160058731-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SIGMAR1 2348/4885CCR5 2468/4885SMN1; SMN2 4364/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC SIGMAR1 1234/4885CCR5 2793/4885SMN1; SMN2 3316/4885
US-20140088078-A1 Partially Saturated Tricyclic Compounds and Methods of Making and Using Same DNPEP, CES2, AADAC SIGMAR1 1234/4885CCR5 2793/4885SMN1; SMN2 3316/4885

“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.