SCHEMBL691667

SCHEMBL691667

O=C1CC2CN(C(=O)O)CCN2c2cccc(F)c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
ADAM10 O14672 1/20 0.35
ERBB2 P04626 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL2014418 0.85 SCN9A (0.47) OPRL1SIGMAR1
SCHEMBL691094 0.81 SIGMAR1 (0.43) SIGMAR1KDM4EKMT2AALDH1A1MEN1
SCHEMBL2013376 0.81 DRD2 (0.48) OPRL1SIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL2014167 0.81 DRD2 (0.48) OPRL1SIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL2015841 0.78 DRD2 (0.53) OPRL1CYP2C9CYP2C19NPSR1MAPT
SCHEMBL2016245 0.77 HTR2C (0.47) OPRL1
SCHEMBL2014807 0.77 HTR2C (0.47) OPRL1
SCHEMBL2013772 0.77 HTR2C (0.47) OPRL1
SCHEMBL17554805 0.75 MAOB (0.41) KDM4ESMN1; SMN2ALDH1A1MMP2LMNA
SCHEMBL17554804 0.75 MAOB (0.41) KDM4ESMN1; SMN2ALDH1A1MMP2LMNA

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 6 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
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (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 OPRL1 69/4885SIGMAR1 77/4885KDM4E 1162/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D OPRL1 69/4885SIGMAR1 77/4885KDM4E 1162/4885

“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.