SCHEMBL26795648

SCHEMBL26795648

CNc1c[nH]c2cc(C(C)(C)C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.47
HTR1B P28222 3/20 0.47
HTR1A P08908 1/20 0.47
KIF11 P52732 5/20 0.45
DHPS P49366 2/20 0.35
KCNH2 Q12809 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CFTR P13569 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL8957519 0.77 KIF11 (0.49) HTR1DHTR1BHTR1AKIF11KCNH2
SCHEMBL8957502 0.77 KIF11 (0.49) HTR1DHTR1BHTR1AKIF11KCNH2
SCHEMBL23478668 0.75 ALDH1A1 (0.48) HTR1DHTR1BHTR1AKIF11KCNH2
SCHEMBL13672542 0.75 KIF11 (0.47) HTR1DHTR1BHTR1AKIF11KCNH2
SCHEMBL27994549 0.75 GPR84 (0.58) HTR1ATDO2
SCHEMBL28375689 0.75 GPR84 (0.58) ALDH1A1TDO2
SCHEMBL18701017 0.72 HTR1D (0.53) HTR1DHTR1BHTR1AKIF11MEN1
SCHEMBL8957517 0.72 HTR1D (0.53) HTR1DHTR1BHTR1AKIF11CFTR
SCHEMBL24819171 0.72 KIF11 (0.45) HTR1DHTR1BKIF11ALDH1A1CFTR
SCHEMBL8957528 0.72 KIF11 (0.45) HTR1DHTR1BHTR1AKIF11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 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 (2 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-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HTR1D 2447/4885HTR1B 1817/4885HTR1A 2622/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HTR1D 2447/4885HTR1B 1817/4885HTR1A 2622/4885

“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.