SCHEMBL691883

SCHEMBL691883

O=C1CC2CN(C(=O)O)CCN2c2cc(Cl)c(Cl)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
HTR2A P28223 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MMP2 P08253 2/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL691717 0.86 MDM2 (0.37) HTR2CHTR2ASIGMAR1
SCHEMBL2012594 0.84 KDM4E (0.40) HTR2CALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL2012592 0.84 KDM4E (0.40) HTR2CALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3626167 0.82 BRD4 (0.39) ALDH1A1KMT2ASIGMAR1MMP2
SCHEMBL3630035 0.82 BRD4 (0.39) ALDH1A1KMT2ASIGMAR1MMP2
SCHEMBL692372 0.81 CA9 (0.35) HTR2CMEN1KMT2AKDM4ESIGMAR1
SCHEMBL16819095 0.81 TSHR (0.38) MEN1KMT2ASIGMAR1
SCHEMBL691094 0.80 SIGMAR1 (0.43) ALDH1A1MEN1KMT2AKDM4ESIGMAR1
SCHEMBL16819094 0.79 HTR2C (0.47) HTR2CALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3723985 0.78 LMNA (0.42) ALDH1A1MEN1KMT2A

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 HTR2C 8/4885ALDH1A1 1176/4885CYP2C9 443/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR2C 8/4885ALDH1A1 1176/4885CYP2C9 443/4885

“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.