Sugi Predict

Sugi Predict / Compounds / SCHEMBL3513374

SCHEMBL3513374

SCHEMBL3513374

Cc1coc(N2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ELANE P08246 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ CHRM4 P08173 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
SCHEMBL24375507 0.84 KMT2A (0.46) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL13162793 0.81 KDM4E (0.35) KDM4EHSD17B10HPGDKMT2ACHRM4
SCHEMBL13162797 0.80 GPR119 (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL13162795 0.78 LRRK2 (0.32) CHRM4
SCHEMBL13270551 0.75 CHRM3 (0.33) TACR3
SCHEMBL11533901 0.72 L3MBTL1 (0.44) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL13162782 0.70 ITGB2 (0.31) ITGB2ICAM1ITGAL
SCHEMBL3581657 0.70 ALDH1A1 (0.39) SMN1; SMN2CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL30877384 0.70 MEN1 (0.33) SMN1; SMN2CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL13163116 0.69 GNE (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1

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-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 — — US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 — — US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 — — 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 CRHBP 1964/4885CRHR2 3336/4885SMN1; SMN2 2187/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CRHBP 3439/4885CRHR2 1643/4885SMN1; SMN2 3213/4885

“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.