SCHEMBL13738435

SCHEMBL13738435

O=C(O)N1CCC(CN(Cc2ccccc2)C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP2C19 P33261 1/20 0.44
TACR3 P29371 1/20 0.43
GRIN2B Q13224 7/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP3A4 P08684 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13739207 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL15607979 0.91 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL15607978 0.91 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL15626828 0.86 JAK2 (0.54) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6766420 0.79 CCR6 (0.46) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL14720201 0.78 HDAC1 (0.52) CHRM2CHRM3TACR3
SCHEMBL25188798 0.78 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19TACR3
SCHEMBL15668019 0.77 OPRM1 (0.48) CYP2C19TACR3CYP2C9
SCHEMBL15668020 0.77 OPRM1 (0.48) CYP2C19TACR3CYP2C9
SCHEMBL13740448 0.76 USP30 (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6

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 SMN1; SMN2 3316/4885NPC1 307/4885RAB9A 4608/4885
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SMN1; SMN2 4364/4885NPC1 525/4885RAB9A 3599/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 SMN1; SMN2 4364/4885NPC1 525/4885RAB9A 3599/4885
US-20160058731-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SMN1; SMN2 4364/4885NPC1 525/4885RAB9A 3599/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC SMN1; SMN2 3316/4885NPC1 307/4885RAB9A 4608/4885
US-20140088078-A1 Partially Saturated Tricyclic Compounds and Methods of Making and Using Same DNPEP, CES2, AADAC SMN1; SMN2 3316/4885NPC1 307/4885RAB9A 4608/4885

“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.