SCHEMBL19253832

SCHEMBL19253832

COC(C[Si](C)(C)C)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CASR P41180 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TACR1 P25103 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
BCHE P06276 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL11792666 0.80 SIGMAR1 (0.48) SIGMAR1CASRPOLBKDM4ECYP3A4
Hydrochloric Acid SCHEMBL11350504 0.76 SIGMAR1 (0.44) SIGMAR1CASRPOLBKDM4ECYP3A4
SCHEMBL21228075 0.74 SIGMAR1 (0.53) SIGMAR1CASRPOLBKDM4ECYP3A4
SCHEMBL794607 0.72 SIGMAR1 (0.41) SIGMAR1CYP3A4
SCHEMBL15671412 0.72 ALDH1A1 (0.46) SIGMAR1MAPTMEN1KMT2AATM
SCHEMBL19853394 0.72 SIGMAR1 (0.57) SIGMAR1CASRPOLBKDM4ECYP3A4
SCHEMBL16714808 0.71 SIGMAR1 (0.56) SIGMAR1CASRPOLBMEN1KMT2A
SCHEMBL16714805 0.71 SIGMAR1 (0.56) SIGMAR1CASRPOLBMEN1KMT2A
SCHEMBL9079776 0.71 KDM4E (0.50) SIGMAR1CASRKDM4EBCHETDP1
SCHEMBL13858736 0.70 SIGMAR1 (0.59) SIGMAR1CASRPOLBKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-3486231-B1 PYRROLIDINE DERIVATIVE SERVING AS PPAR AGONIST GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2020-05-20 EP disclosed
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-01-14 US disclosed
US-20190225597-A1 PYRROLIDINE DERIVATIVES AS PPAR AGONISTS Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-07-25 US disclosed
EP-3486231-A1 PYRROLIDINE DERIVATIVE SERVING AS PPAR AGONIST Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-22 EP disclosed
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-12-25 US disclosed
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 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 (4 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-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity NR5A2, NPY5R, MC5R SIGMAR1 947/4885CASR 582/4885POLB 3706/4885
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity NR5A2, NPY5R, MC5R SIGMAR1 947/4885CASR 582/4885POLB 3706/4885
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY NR5A2, NPY5R, MC5R SIGMAR1 947/4885CASR 582/4885POLB 3706/4885
US-20190225597-A1 PYRROLIDINE DERIVATIVES AS PPAR AGONISTS PPARD, PPARA, PPARG SIGMAR1 831/4885CASR 2347/4885POLB 1264/4885

“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.