SCHEMBL2424317

SCHEMBL2424317

CC(C)Oc1cccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GOT1 P17174 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
OGA O60502 1/20 0.32

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
SCHEMBL31092383 0.78 GRIN1 (0.40) GOT1CYP1A2RXRAGRIN1GRIN2B
SCHEMBL16235549 0.78 GRIN1 (0.40) GOT1CYP1A2RXRAGRIN1GRIN2B
SCHEMBL907708 0.77 CYP1A2 (0.45) KMT2ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12878804 0.77 CTDSP1 (0.36) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29385144 0.77
SCHEMBL910326 0.77
SCHEMBL129824 0.76 CTDSP1 (0.32) CYP1A2CTDSP1
SCHEMBL4273120 0.76 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
Ammonia Solution, Strong SCHEMBL28259089 0.75
Hydrochloric Acid SCHEMBL4479594 0.75

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685729-B2 C5a receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-06-27 US disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
WO-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
CN-101333187-A Novel PI3K enzyme inhibitors and uses thereof UNIV EAST CHINA SCIENCE & TECH (CN) 2008-12-31 CN disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 GABRA1 3700/4885GABRG2 3430/4885GABRB3 2798/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 GABRA1 3402/4885GABRG2 3125/4885GABRB3 2360/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 GABRA1 3149/4885GABRG2 2769/4885GABRB3 2454/4885
US-11685729-B2 C5a receptor modulators C5AR1, C3AR1, C5AR2 GABRA1 586/4885GABRG2 999/4885GABRB3 1547/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 GABRA1 3402/4885GABRG2 3125/4885GABRB3 2360/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC GABRA1 2885/4885GABRG2 2484/4885GABRB3 2061/4885

“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.