SCHEMBL23186133

SCHEMBL23186133

C[C@@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTR2C P28335 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
HTT P42858 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CHRM4 P08173 1/20 0.43
ALDH1A1 P00352 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL13330343 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL28429589 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL2378732 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL2379232 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2378728 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL22613316 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2379142 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2379229 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL28401379 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL16653836 0.90 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use GENENTECH, INC. (US) 2024-08-27 US disclosed
US-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US disclosed
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2022-11-24 US disclosed
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors ACLARIS THERAPEUTICS, INC. 2022-08-23 US disclosed
CN-113727975-A Substituted pyrrolopyridines as JAK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-11-30 CN disclosed
CN-112739420-A Phenoxy-pyridyl-pyrimidine compounds and methods of use 基因泰克公司 2021-04-30 CN disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 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 (5 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-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE XBP1, ERN1, ESR2 SMN1; SMN2 1892/4885CYP2C19 1981/4885NPC1 1937/4885
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 SMN1; SMN2 4883/4885CYP2C19 1469/4885NPC1 3601/4885
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 SMN1; SMN2 379/4885CYP2C19 4056/4885NPC1 283/4885
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use XBP1, ERN1, ESR2 SMN1; SMN2 1892/4885CYP2C19 1981/4885NPC1 1937/4885
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors JAK1, JAK3, JAK2 SMN1; SMN2 4883/4885CYP2C19 1469/4885NPC1 3601/4885

“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.