SCHEMBL3626359

SCHEMBL3626359

O=C(O)C[C@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
SIGMAR1 Q99720 2/20 0.49
ALDH1A1 P00352 3/20 0.46
S1PR5 Q9H228 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
FUCA1 P04066 2/20 0.43
CYP2D6 P10635 2/20 0.42
AGTR2 P50052 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL25154290 1.00 LTA4H (0.56) LTA4HSIGMAR1ALDH1A1S1PR5LMNA
SCHEMBL3493009 1.00 LTA4H (0.56) LTA4HSIGMAR1ALDH1A1S1PR5LMNA
SCHEMBL5456925 0.89 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1S1PR5LMNA
SCHEMBL5242188 0.89 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1S1PR5LMNA
SCHEMBL10674002 0.89 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1S1PR5LMNA
SCHEMBL691646 0.85 LTA4H (0.54) LTA4HSIGMAR1GAAPKM
SCHEMBL691443 0.85 LTA4H (0.54) LTA4HSIGMAR1GAAPKM
Hydrochloric Acid SCHEMBL30412643 0.84 LTA4H (0.53) LTA4HSIGMAR1GAAPKM
SCHEMBL8124283 0.84 PKM (0.61) LTA4HKMT2AGAAPKMKDM4E
SCHEMBL2062715 0.84 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
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
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP 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-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 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 (4 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ALDH1A1 1176/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ALDH1A1 1176/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ALDH1A1 1176/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D LTA4H 618/4885SIGMAR1 77/4885ALDH1A1 1176/4885

“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.