SCHEMBL13034824

SCHEMBL13034824

CC(C)Cc1ccc2ccoc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.71
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL25146630 0.86 HTR1B (0.55) HTR1BCHRM2CHRM1CHRM3
SCHEMBL29366170 0.86 HTR1B (0.67) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL31079721 0.86 HTR1B (0.67) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL25172149 0.86 HTR1B (0.67) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL5987271 0.86 HTR1B (0.67) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL31079904 0.86 HTR1B (0.67) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL1602504 0.85 HTR1B (0.71) HTR1BGABRA1GABRB2CYP2A6
SCHEMBL25477704 0.84 HTR1B (0.66) HTR1BCHRM2CHRM1CHRM3HTR2A
SCHEMBL25477711 0.84 HTR1B (0.66) HTR1BCHRM2CHRM1CHRM3HTR2A
Hydrochloric Acid SCHEMBL5987162 0.84 HTR1B (0.65) HTR1BCHRM2CHRM1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2023-04-13 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11453790-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2022-09-27 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (15 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR1B 4381/4885CHRM2 4875/4885CHRM1 4854/4885
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 HTR1B 3098/4885CHRM2 4871/4885CHRM1 4885/4885
US-11453790-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 HTR1B 1209/4885CHRM2 3097/4885CHRM1 1506/4885
US-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR1B 4381/4885CHRM2 4875/4885CHRM1 4854/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1B 21/4885CHRM2 257/4885CHRM1 404/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 HTR1B 982/4885CHRM2 39/4885CHRM1 53/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR1B 4381/4885CHRM2 4875/4885CHRM1 4854/4885
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 HTR1B 1209/4885CHRM2 3097/4885CHRM1 1506/4885
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 HTR1B 1209/4885CHRM2 3097/4885CHRM1 1506/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HTR1B 1631/4885CHRM2 3911/4885CHRM1 3352/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HTR1B 2790/4885CHRM2 1409/4885CHRM1 1548/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 HTR1B 1970/4885CHRM2 2363/4885CHRM1 2538/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 HTR1B 675/4885CHRM2 296/4885CHRM1 181/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HTR1B 340/4885CHRM2 364/4885CHRM1 507/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 HTR1B 70/4885CHRM2 144/4885CHRM1 80/4885

“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.