Sugi Predict

Sugi Predict / Compounds / SCHEMBL868571

SCHEMBL868571

SCHEMBL868571

c1ccc(CCN2CCCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.56
▸ THRB P10828 2/20 0.55
▸ SLC6A3 Q01959 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HRH1 P35367 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50

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
SCHEMBL14058727 0.98 HRH3 (0.55) HRH3THRBSLC6A3SIGMAR1HSD17B10
SCHEMBL3939455 0.98 HRH3 (0.55) HRH3THRBSLC6A3SIGMAR1HSD17B10
SCHEMBL29922137 0.92 THRB (0.61) HRH3THRBHSD17B10CYP2D6HRH1
SCHEMBL16026529 0.92 THRB (0.61) HRH3THRBHSD17B10CYP2D6HRH1
SCHEMBL5960435 0.89 HRH3 (0.50) HRH3THRBSIGMAR1HRH1ALDH1A1
SCHEMBL2749459 0.86 THRB (0.52) HRH3THRBSIGMAR1HSD17B10HRH1
SCHEMBL12359541 0.86 THRB (0.56) HRH3THRBSIGMAR1HSD17B10HRH1
SCHEMBL18390916 0.84 THRB (0.54) HRH3THRBSIGMAR1HSD17B10CYP2D6
SCHEMBL6025900 0.84 KDM4E (0.52) HRH3THRBSIGMAR1HSD17B10ALDH1A1
SCHEMBL1305923 0.84 HRH1 (0.59) HRH3THRBSIGMAR1HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
CN-109153681-A Novel 5H-pyrrolo [2, 3-d ] pyrimidin-6 (7H) -one derivatives 大鹏药品工业株式会社 2019-01-04 — — CN disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 — — US disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 — — EP disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 — — US disclosed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 — — CN disclosed
US-9511060-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2016-12-06 — — US disclosed
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2016-06-02 — — US disclosed
US-9193708-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 — — US disclosed
US-20150099787-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-04-09 — — US disclosed
CN-101522623-B Non-flushing nicotinic acid analogs and methods of use thereof TUFTS COLLEGE 2013-06-12 — — CN disclosed
EP-2584899-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF Trustees Of Tufts College (US) 2013-05-01 — — EP disclosed
US-8377971-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-02-19 — — US disclosed
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 — — US disclosed
WO-2011163612-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2011-12-29 — — WO disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 — — US disclosed
EP-2054386-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2009-05-06 — — EP disclosed
WO-2008016968-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-07 — — WO disclosed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 — — CN disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 — — CN 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HRH3 3986/4885THRB 4061/4885SLC6A3 1722/4885
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB HRH3 357/4885THRB 487/4885SLC6A3 576/4885
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF SLC33A1, CHLSN, APOB HRH3 358/4885THRB 486/4885SLC6A3 584/4885
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NADK, NAPRT HRH3 697/4885THRB 2220/4885SLC6A3 431/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HRH3 3902/4885THRB 3540/4885SLC6A3 2708/4885
US-20150099787-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB HRH3 366/4885THRB 490/4885SLC6A3 568/4885

“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.