SCHEMBL22062893

SCHEMBL22062893

CC(C)(C)c1nc(N)ccc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
MCHR1 Q99705 14/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
BACE1 P56817 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
NOS1 P29475 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL31435345 0.81 BACE1 (0.36) HTR1DHTR1BHTR1FMCHR1CHRNB2
SCHEMBL31435343 0.81 BACE1 (0.36) HTR1DHTR1BHTR1FMCHR1CHRNB2
SCHEMBL24966592 0.75 NOTUM (0.38) ALOX5APFEN1
SCHEMBL31435305 0.75 ALOX5AP (0.41) BACE1ALOX5APFEN1
SCHEMBL21355672 0.75 NOS3 (0.50) HTR1DHTR1BHTR1FMCHR1CHRNB2
SCHEMBL21355397 0.74 HTR1D (0.38) HTR1DHTR1BHTR1FMCHR1CHRNB2
SCHEMBL22062848 0.71 KRAS (0.33)
SCHEMBL21355574 0.71 TAAR1 (0.38) HTR1DHTR1BHTR1FMCHR1CHRNB2
SCHEMBL21355535 0.71 FEN1 (0.40) HTR1DHTR1BHTR1FCHRNB2CHRNA4
SCHEMBL27051310 0.70 HTR1D (0.37) HTR1DHTR1BHTR1FMCHR1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (5 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HTR1D 4791/4885HTR1B 4626/4885HTR1F 4611/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 HTR1D 4296/4885HTR1B 3995/4885HTR1F 4439/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS HTR1D 4649/4885HTR1B 4316/4885HTR1F 4421/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HTR1D 4791/4885HTR1B 4626/4885HTR1F 4611/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS HTR1D 4791/4885HTR1B 4626/4885HTR1F 4611/4885

“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.