SCHEMBL18154922

SCHEMBL18154922

CC1(C)CN[C@@H](C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
ALOX15 P16050 3/20 0.53
GRM2 Q14416 1/20 0.53
GRM3 Q14832 1/20 0.53
APLNR P35414 1/20 0.44
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.36
GRIA1 P42261 3/20 0.36
GRIA2 P42262 3/20 0.36
GRIA3 P42263 3/20 0.36
GRIA4 P48058 3/20 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
SCHEMBL556207 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL556206 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3APLNR
Hydrochloric Acid SCHEMBL28529831 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
Hydrochloric Acid SCHEMBL15008250 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
Trifluoroacetic Acid SCHEMBL25227216 0.89 CYP1A2 (0.44) CYP1A2ALOX15GRM2GRM3APLNR
Hydrochloric Acid SCHEMBL29514375 0.84 CYP1A2 (0.47) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL8270188 0.82 GRM2 (0.35) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL3932250 0.80 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL1268720 0.80 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL23942121 0.80 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR

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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
US-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-12 US disclosed
EP-3283480-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-02-21 EP disclosed
WO-2016166186-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 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 (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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 CYP1A2 2492/4885ALOX15 4090/4885GRM2 343/4885
US-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 CYP1A2 2325/4885ALOX15 4590/4885GRM2 3001/4885

“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.