SCHEMBL9969419

SCHEMBL9969419

CC(C)(C)CCOc1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
MCHR1 Q99705 1/20 0.47
NR3C1 P04150 3/20 0.42
IDO1 P14902 1/20 0.42
NCF1 P14598 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SSTR4 P31391 1/20 0.40
CACNA2D1 P54289 4/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL9969420 0.89 SSTR4 (0.49) HTR1AHTR1DHTR1BMCHR1IDO1
SCHEMBL23412378 0.85 MAPT (0.52) HTR1AHTR1DHTR1BNR3C1NCF1
SCHEMBL23412188 0.83 NCF1 (0.51) HTR1AHTR1DHTR1BNCF1KDM4E
SCHEMBL9969535 0.82 HTR1B (0.48) HTR1AHTR1DHTR1BMCHR1NR3C1
SCHEMBL29872827 0.82 HTR1B (0.48) HTR1AHTR1DHTR1BMCHR1NR3C1
SCHEMBL23412437 0.82 NCF1 (0.58) HTR1AHTR1DHTR1BNCF1KDM4E
SCHEMBL827493 0.81 HTR1B (0.47) HTR1AHTR1DHTR1BMCHR1NCF1
SCHEMBL23412394 0.80 NCF1 (0.59) NCF1KDM4EMAPT
SCHEMBL12958275 0.80 MCHR1 (0.48) HTR1DHTR1BMCHR1IDO1SLC6A4
SCHEMBL23412668 0.80 NCF1 (0.59) NCF1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322732-A1 RIP1 Inhibitory Compounds and Methods for Making and Using the Same RIGEL PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-11564930-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2023-01-31 US disclosed
US-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS INC. (US) 2022-06-28 US disclosed
US-11370765-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 US disclosed
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (GA) 2022-05-17 US disclosed
US-20210238153-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-08-05 US disclosed
US-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 HTR1A 3055/4885HTR1D 2009/4885HTR1B 2753/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 HTR1A 3055/4885HTR1D 2009/4885HTR1B 2753/4885
US-20230322732-A1 RIP1 Inhibitory Compounds and Methods for Making and Using the Same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-20210238153-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-11377428-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC HTR1A 2833/4885HTR1D 3378/4885HTR1B 2039/4885
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-11564930-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885
US-11370765-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 HTR1A 4292/4885HTR1D 4628/4885HTR1B 4433/4885

“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.