SCHEMBL7570951

SCHEMBL7570951

COc1ccc2c(c1)CCCC2(C#N)O[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
LMNA P02545 1/20 0.40
ADRA2A P08913 2/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLA1 P09884 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6568601 0.92 KDM1A (0.41) KDM1ACYP2C19KMT2AKDM4EJAK2
SCHEMBL9364462 0.92 ADRA2A (0.43) KDM1AADRA2AKMT2AKDM4EJAK2
SCHEMBL19126994 0.84 KDM1A (0.36) KDM1AKDM4EJAK2ALDH1A1HPGD
SCHEMBL15897036 0.84 BACE1 (0.37) KDM1ADRD2DRD3
SCHEMBL3020640 0.84 KDM1A (0.36) KDM1AKDM4EALDH1A1
SCHEMBL8635505 0.84 ALDH1A1 (0.41) ADRA2ACYP2C19KMT2AKDM4EJAK2
Lithium Ion SCHEMBL3665004 0.81 KDM1A (0.34) KDM1A
SCHEMBL3899441 0.81 MEN1 (0.43) KDM1AKMT2ASIGMAR1
SCHEMBL2777365 0.80 GAA (0.34) ALDH1A1CYP3A4
SCHEMBL3905338 0.78 OPRM1 (0.33) KDM1AKMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-6391915-B2 ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020006956-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-17 US disclosed
EP-0976720-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-02 EP disclosed
WO-1998052913-A2 LEUKOTRIENE B4 ANTAGONISTS, IN PARTICULAR 3-OXA-TETRAHYDRONAPHTHALENE-LTB4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM1A 3743/4885LMNA 701/4885ADRA2A 390/4885
US-20020006956-A1 Propanolamine derivatives PNLIP, ADRB1, FABP2 KDM1A 1758/4885LMNA 2259/4885ADRA2A 37/4885

“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.