Sugi Predict

Sugi Predict / Compounds / SCHEMBL17385246

SCHEMBL17385246

SCHEMBL17385246

C[C@@H]1CN(c2ccc(C(N)=O)c(F)c2)C[C@H](C)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.51
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ SIGMAR1 Q99720 10/20 0.41
▸ TMEM97 Q5BJF2 9/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CHRM2 P08172 2/20 0.41

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
SCHEMBL20976839 1.00 HTR2C (0.51) HTR2CCACNA1GCACNA1HCACNA1ISIGMAR1
SCHEMBL17385178 0.89 HTR2C (0.50) HTR2CCACNA1GCACNA1HCACNA1ISIGMAR1
SCHEMBL19096981 0.81 DGAT1 (0.41) CHRM2
SCHEMBL19096963 0.81 DGAT1 (0.41) CHRM2
SCHEMBL22048387 0.80 NR1H2 (0.46) —
SCHEMBL25807857 0.73 HTR2C (0.70) HTR2CCACNA1GCACNA1HCACNA1ISIGMAR1
SCHEMBL16467962 0.72 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1ICYP2C19
SCHEMBL3652770 0.72 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1ICYP2C19
SCHEMBL17375398 0.71 CHRM2 (0.43) CHRM2CHRM5CHRM1CHRM3
SCHEMBL19096975 0.71 CHRM2 (0.43) CHRM2CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160967-B1 N-(IMIDAZO[1,2-A]PYRAZIN-6-YL)-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-05-08 — — EP disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 — — US disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 — — US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 — — US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 — — US disclosed
WO-2015197503-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 — — WO 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 (1 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-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, PYGM, GYS1 HTR2C 3922/4885CACNA1G 1149/4885CACNA1H 2109/4885

“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.