SCHEMBL21669989

SCHEMBL21669989

CC(C)(C)c1ccc2c(c1)nnn2C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.58
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 2/20 0.33
KCNMA1 Q12791 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTR1D P28221 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN1 P18031 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KIF11 P52732 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL19848185 0.86 PKM (0.61) HCAR3PKMALDH1A1HSD17B10MAPT
SCHEMBL10254346 0.80 HCAR3 (0.51) HCAR3PKMHPGDALDH1A1HSD17B10
SCHEMBL19911472 0.80 HCAR3 (0.59) HCAR3PKMALDH1A1MAPTPOLB
SCHEMBL21445739 0.79 HCAR3 (0.58) HCAR3PKMHPGDALDH1A1ALOX15
SCHEMBL19911588 0.79 HCAR3 (0.58) HCAR3PKMHPGDALDH1A1HSD17B10
SCHEMBL15907144 0.79 HCAR3 (0.58) HCAR3PKMALDH1A1MAPTPOLB
SCHEMBL13672569 0.77 HCAR3 (0.56) HCAR3PKMHPGDALDH1A1ALOX15
SCHEMBL18997056 0.76 HCAR3 (0.55) HCAR3PKMMAPTPOLB
SCHEMBL19911502 0.76 HCAR3 (0.55) HCAR3ALDH1A1TDP1MAPTPOLB
SCHEMBL31349698 0.75 HCAR3 (0.54) HCAR3ALDH1A1KIF11GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 US disclosed
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 US disclosed
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 HCAR3 1492/4885PKM 396/4885HPGD 350/4885
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES NFE2L2, KEAP1, NFE2 HCAR3 2993/4885PKM 1451/4885HPGD 196/4885

“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.