SCHEMBL17402500

SCHEMBL17402500

CC(=O)CCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
FAAH O00519 1/20 0.47
TSHR P16473 1/20 0.47
TEAD3 Q99594 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.44
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 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
SCHEMBL3525287 0.98 EPHX2 (0.54) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL27274906 0.98 EPHX2 (0.54) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL18641735 0.98 EPHX2 (0.54) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL543078 0.95 ALDH1A1 (0.53) EPHX2ALDH1A1L3MBTL1TDP1TSHR
SCHEMBL8824059 0.91 NAAA (0.50) EPHX2L3MBTL1TDP1FAAHNAAA
SCHEMBL711863 0.87 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1TSHRHTT
SCHEMBL9150244 0.87 EPHX2 (0.51) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL712393 0.86 MAPT (0.56) EPHX2L3MBTL1TDP1FAAHTSHR
SCHEMBL19255575 0.85 ALDH1A1 (0.47) EPHX2ALDH1A1L3MBTL1TDP1TSHR
SCHEMBL9574169 0.85 ALDH1A1 (0.59) ALDH1A1TDP1FAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders Karuna Therapeutics, Inc. (US) 2022-12-27 US disclosed
US-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders Karuna Therapeutics, Inc. (US) 2022-12-27 US disclosed
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. 2021-05-20 US disclosed
WO-2021097427-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. (US) 2021-05-20 WO disclosed
WO-2021097427-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. (US) 2021-05-20 WO disclosed
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS Karuna Therapeutics, Inc. 2021-05-20 US disclosed
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 US disclosed
EP-3322705-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G Limited (GB) 2018-05-23 EP disclosed
US-9809588-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-07 US disclosed
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-10-12 US disclosed
WO-2017009651-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2017-01-19 WO disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 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 (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-11534434-B2 Xanomeline derivatives and methods for treating neurological disorders CHRM1, RXFP3, NPY5R EPHX2 3601/4885ALDH1A1 3587/4885L3MBTL1 1116/4885
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 EPHX2 3658/4885ALDH1A1 882/4885L3MBTL1 1762/4885
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 EPHX2 3658/4885ALDH1A1 882/4885L3MBTL1 1762/4885
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 EPHX2 3359/4885ALDH1A1 492/4885L3MBTL1 4519/4885
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 EPHX2 3658/4885ALDH1A1 882/4885L3MBTL1 1762/4885
US-20210145810-A1 XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS CHRM1, RXFP3, NPY5R EPHX2 3601/4885ALDH1A1 3587/4885L3MBTL1 1116/4885

“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.