SCHEMBL691094

SCHEMBL691094

O=C1CC2CN(C(=O)O)CCN2c2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAM10 O14672 1/20 0.39
ERBB2 P04626 1/20 0.39
MMP2 P08253 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL3620108 0.84 MAOA (0.38) SIGMAR1ALDH1A1MEN1KMT2AADAM10
SCHEMBL3620105 0.84 MAOA (0.38) SIGMAR1ALDH1A1MEN1KMT2AADAM10
SCHEMBL3626167 0.84 BRD4 (0.39) SIGMAR1ALDH1A1GAAOPRM1OPRD1
SCHEMBL3630035 0.84 BRD4 (0.39) SIGMAR1ALDH1A1GAAOPRM1OPRD1
SCHEMBL2013375 0.83 SIGMAR1 (0.45) SIGMAR1ALDH1A1BRD4
SCHEMBL1350836 0.83 SIGMAR1 (0.45) SIGMAR1ALDH1A1BRD4
SCHEMBL692752 0.83 DRD2 (0.38) SIGMAR1GAAMEN1KMT2ABRD4
SCHEMBL692372 0.83 CA9 (0.35) SIGMAR1GAAKDM4EMAPTHTT
SCHEMBL691717 0.83 MDM2 (0.37) SIGMAR1
SCHEMBL16819095 0.83 TSHR (0.38) SIGMAR1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (2 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-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885ALDH1A1 1176/4885GAA 4012/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SIGMAR1 77/4885ALDH1A1 1176/4885GAA 4012/4885

“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.