SCHEMBL22363344

SCHEMBL22363344

CC(C)C[C@H](N)c1nnn(CCc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL18774990 0.83 GHSR (0.40) GHSRMEN1KMT2ARAB9ANPC1
SCHEMBL24095819 0.80 LTA4H (0.41) GHSRMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL9872079 0.71 RAB9A (0.44) RAB9ANPC1MAPTL3MBTL1
SCHEMBL14269909 0.69 CNR2 (0.42) CNR1CNR2TRPV1RAB9ANPC1
SCHEMBL4403748 0.67 RAB9A (0.57) GHSRSMN1; SMN2CNR1CNR2TRPV1
SCHEMBL3698838 0.64 CYP1A2 (0.42) SMN1; SMN2CNR1CNR2TRPV1TAAR1
SCHEMBL13995129 0.62 ERAP1 (0.51) TAAR1AOC3
SCHEMBL9408790 0.62 ERAP1 (0.51) TAAR1AOC3
Isopropylamine SCHEMBL27323125 0.62 MAOA (0.61) SMN1; SMN2TAAR1AOC3
SCHEMBL18774988 0.61 RAB9A (0.41) SMN1; SMN2TAAR1RAB9ANPC1L3MBTL1

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-11325924-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-10 US disclosed
US-20210047347-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-02-18 US disclosed
US-10752644-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-08-25 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 (3 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-20210047347-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF GATD3, GABRR2, GABRR3 GHSR 3329/4885SMN1; SMN2 3983/4885CNR1 2514/4885
US-10752644-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 GHSR 3329/4885SMN1; SMN2 3983/4885CNR1 2514/4885
US-11325924-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 GHSR 3329/4885SMN1; SMN2 3983/4885CNR1 2514/4885

“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.