SCHEMBL1602504

SCHEMBL1602504

CC(C)Cc1ccc2occc2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.71
CYP2A6 P11509 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
DYRK1A Q13627 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
CDK9 P50750 1/20 0.39

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
SCHEMBL2090229 0.86 HTR1B (0.67) HTR1BCYP2A6TAS1R3TAS1R1DYRK1A
SCHEMBL24432895 0.86 HTR1B (0.67) HTR1BCYP2A6TAS1R3TAS1R1DYRK1A
SCHEMBL5988009 0.86 HTR1B (0.67) HTR1B
SCHEMBL25237253 0.86 HTR1B (0.67) HTR1B
SCHEMBL29528156 0.86 HTR1B (0.67) HTR1B
SCHEMBL24429342 0.86 HTR1B (0.67) HTR1B
SCHEMBL13034824 0.85 HTR1B (0.71) HTR1BCYP2A6GABRA1GABRB2
SCHEMBL25477702 0.84 HTR1B (0.66) HTR1BCYP2A6TAS1R3TAS1R1DYRK1A
SCHEMBL25477690 0.84 HTR1B (0.66) HTR1BCYP2A6TAS1R3TAS1R1DYRK1A
SCHEMBL25477709 0.84 HTR1B (0.66) HTR1BCYP2A6TAS1R3TAS1R1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024502-B2 Biased adrenergic agonists UNIVERSITY OF SOUTH FLORIDA (US) 2024-07-02 US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 US disclosed
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS, INC., 2020-09-17 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070173487-A1 S1P receptor modulating compounds and use thereof PREDIX PHARMACEUTICAL HOLDINGS 2007-07-26 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 WO disclosed
WO-2007061458-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-05-31 WO 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 (12 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 HTR1B 853/4885CYP2A6 3358/4885GABRA1 321/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 HTR1B 1170/4885CYP2A6 2750/4885GABRA1 2177/4885
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP HTR1B 3535/4885CYP2A6 944/4885GABRA1 3586/4885
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 HTR1B 4439/4885CYP2A6 137/4885GABRA1 777/4885
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HTR1B 2790/4885CYP2A6 470/4885GABRA1 471/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HTR1B 2790/4885CYP2A6 470/4885GABRA1 471/4885
US-12024502-B2 Biased adrenergic agonists ADRB2, ADRB1, ADRB3 HTR1B 151/4885CYP2A6 1642/4885GABRA1 165/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 HTR1B 4439/4885CYP2A6 137/4885GABRA1 777/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP HTR1B 3535/4885CYP2A6 944/4885GABRA1 3586/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP HTR1B 3535/4885CYP2A6 944/4885GABRA1 3586/4885
US-20070173487-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885CYP2A6 2759/4885GABRA1 603/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HTR1B 2258/4885CYP2A6 615/4885GABRA1 2275/4885

“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.