SCHEMBL21094540

SCHEMBL21094540

CC(C)Cc1cnc2c(c1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 3/20 0.30
KDM4E B2RXH2 2/20 0.30
RAB9A P51151 2/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24179238 0.97 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1NPC1
SCHEMBL13501653 0.80 CDK5 (0.40) ADRA2AADRA2BADRA2CALDH1A1NPC1
SCHEMBL11967236 0.77 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1NPC1
SCHEMBL3290699 0.77 RXFP1 (0.44) ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8006934 0.77 ADRA2A (0.44) ADRA2AADRA2BADRA2CALDH1A1NPC1
SCHEMBL22993619 0.76 MAOA (0.35) ADRA2AADRA2BADRA2C
SCHEMBL11954962 0.76 ADRA2A (0.37) ADRA2AADRA2BADRA2CNPC1KDM4E
SCHEMBL24253554 0.75 HRH3 (0.36)
SCHEMBL24253309 0.75 HRH3 (0.35)
SCHEMBL23349384 0.75 CDK5 (0.43) ADRA2AADRA2BADRA2CALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-02-07 US disclosed
US-20220204473-A1 COMPOUND AS IRAK INHIBITOR WUHAN CREATERNA SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2022-06-30 US disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 US disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
US-10730887-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-08-04 US disclosed
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-07-14 US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 US disclosed
US-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2019-10-10 US disclosed
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-11 US disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 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 (11 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-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 ADRA2A 4111/4885ADRA2B 3470/4885ADRA2C 3469/4885
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 ADRA2A 4111/4885ADRA2B 3470/4885ADRA2C 3469/4885
US-20190308993-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 ADRA2A 2695/4885ADRA2B 2383/4885ADRA2C 1888/4885
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 ADRA2A 4111/4885ADRA2B 3470/4885ADRA2C 3469/4885
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT ADRA2A 3293/4885ADRA2B 2709/4885ADRA2C 2501/4885
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT ADRA2A 2799/4885ADRA2B 2593/4885ADRA2C 1619/4885
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU ADRA2A 1973/4885ADRA2B 2024/4885ADRA2C 1848/4885
US-20220204473-A1 COMPOUND AS IRAK INHIBITOR IRAK1, IRAK3, IRAK2 ADRA2A 4163/4885ADRA2B 3274/4885ADRA2C 4132/4885
US-10730887-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 ADRA2A 2695/4885ADRA2B 2383/4885ADRA2C 1888/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA ADRA2A 2046/4885ADRA2B 1438/4885ADRA2C 1249/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT ADRA2A 3293/4885ADRA2B 2709/4885ADRA2C 2501/4885

“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.