SCHEMBL1108959

SCHEMBL1108959

CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CHRM3 P20309 2/20 0.60
ALDH1A1 P00352 1/20 0.59
HRH1 P35367 6/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
CYP2D6 P10635 1/20 0.58
SCN1A P35498 1/20 0.58
KMT2A Q03164 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
KCNH2 Q12809 2/20 0.55

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
SCHEMBL10597961 0.85 ATM (0.50) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL14198330 0.82 CYP19A1 (0.55) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL8812539 0.82 HRH1 (0.73) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL894817 0.82 HRH1 (0.73) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL8812545 0.82 HRH1 (0.73) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL55533 0.82 HRH1 (0.67) HRH1KCNH2
SCHEMBL25453182 0.81 CHRM3 (0.55) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL14020878 0.81 HRH1 (0.65) ALDH1A1HRH1KCNH2
SCHEMBL8931668 0.80 CHRM3 (0.46) ATML3MBTL1CHRM3ALDH1A1HRH1
SCHEMBL7434429 0.80 ALDH1A1 (0.70) ALDH1A1MEN1LMNAKMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
EP-3297992-B1 HETEROCYCLICALKYL DERIVATIVE COMPOUNDS AS SELECTIVE HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2020-02-05 EP disclosed
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF STATE UNIVERSITY (US) 2013-11-21 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
WO-2005103041-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-12-22 WO disclosed
WO-2005103041-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2005-11-03 WO disclosed
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2005-04-14 US disclosed
US-20050009730-A1 Treatment of cns disorders using cns target modulators HYPNION, INC. 2005-01-13 US disclosed
WO-2003032912-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-01-06 WO disclosed
EP-1443929-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2004-08-11 EP disclosed
US-20040142972-A1 CNS target modulators HYPNION, INC. 2004-07-22 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2003032912-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2003-04-24 WO disclosed
US-5077301-A 4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDYLPHENYLALKANE DERIVATIVES AS ANTIHISTAMINES AND METHODS OF TREATMENT OF AN ALLERGIC RESPONSE SCHAPER & BRUEMMER GMBH & CO. KG (DE) 1991-12-31 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 (6 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-20050009730-A1 Treatment of cns disorders using cns target modulators HCRTR2, CNR2, CNR1 ATM 4210/4885L3MBTL1 3982/4885CHRM3 22/4885
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 ATM 3151/4885L3MBTL1 3204/4885CHRM3 974/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 ATM 4210/4885L3MBTL1 3982/4885CHRM3 22/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 ATM 3868/4885L3MBTL1 3892/4885CHRM3 58/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 ATM 4426/4885L3MBTL1 3955/4885CHRM3 19/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ATM 3657/4885L3MBTL1 1539/4885CHRM3 2564/4885

“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.