SCHEMBL4621176

SCHEMBL4621176

Nc1ccc2c(c1)CCC(C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
GRIN2B Q13224 1/20 0.42
OPRK1 P41145 1/20 0.40
FAAH O00519 8/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL16057335 0.86 PSEN1 (0.42) BRD4ATAD2PSEN1PSEN2APH1B
SCHEMBL15431081 0.81 FAAH (0.43) BRD4ATAD2FAAHMMP3MMP8
SCHEMBL346833 0.81 OPRK1 (0.57) OPRK1FAAH
SCHEMBL16252317 0.81 OPRK1 (0.57) OPRK1FAAH
Hydrochloric Acid SCHEMBL7432243 0.80 FAAH (0.42) BRD4ATAD2FAAHMMP3MMP8
SCHEMBL17443352 0.80 HTR1D (0.46) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL29559031 0.80 ALDH1A1 (0.56) FAAH
SCHEMBL2232699 0.80 ALDH1A1 (0.56) FAAH
SCHEMBL21063897 0.80 FAAH (0.40) FAAHCYP1A2FFAR1
SCHEMBL9215130 0.80 CYP1A2 (0.41) FAAHCYP1A2FFAR1

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-9556311-B2 Polyimide precursor composition, article prepared by using same, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-31 US disclosed
US-9556311-B2 Polyimide precursor composition, article prepared by using same, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-31 US disclosed
US-20140024786-A1 POLYIMIDE PRECURSOR COMPOSITION, ARTICLE PREPARED BY USING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-23 US disclosed
US-20140024786-A1 POLYIMIDE PRECURSOR COMPOSITION, ARTICLE PREPARED BY USING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-23 US disclosed
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP BRD4 1526/4885ATAD2 1151/4885GRIN2B 236/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 BRD4 690/4885ATAD2 1072/4885GRIN2B 482/4885

“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.