SCHEMBL9967734

SCHEMBL9967734

CC(C)c1ccc(Br)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
KCNH2 Q12809 4/20 0.44
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TYR P14679 1/20 0.37
RNASEH1 O60930 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL11635625 0.84 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL27810411 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL29372886 0.83 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20995244 0.83 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL16958712 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL18854471 0.83 ADRB2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL14967003 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL21066869 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2522805 0.82 TRPV4 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1506620 0.82 S1PR1 (0.46) LMNAPOLBS1PR1TRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436955-B Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2024-08-09 CN disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-11771680-B2 Pyrrole compounds ALIGOS THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
WO-2023153169-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-08-17 WO disclosed
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 CN disclosed
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020219904-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-05-10 US disclosed
US-9890161-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-13 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20100004295-A1 Hydrazine amide derivative SHIONOGI & CO., LTD. 2010-01-07 US disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (8 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF SLC6A2 3580/4885SLC6A4 4201/4885SLC6A3 3298/4885
US-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT SLC6A2 63/4885SLC6A4 36/4885SLC6A3 71/4885
US-11771680-B2 Pyrrole compounds PKD1, ADCYAP1R1, PYCR1 SLC6A2 3723/4885SLC6A4 3369/4885SLC6A3 2520/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 SLC6A2 1659/4885SLC6A4 1952/4885SLC6A3 2245/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD SLC6A2 3131/4885SLC6A4 2616/4885SLC6A3 2265/4885
US-20100004295-A1 Hydrazine amide derivative NPY5R, NPY1R, NPY2R SLC6A2 824/4885SLC6A4 726/4885SLC6A3 707/4885
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS SLC6A2 3744/4885SLC6A4 4189/4885SLC6A3 3844/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 SLC6A2 4847/4885SLC6A4 4696/4885SLC6A3 3910/4885

“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.