SCHEMBL23229059

SCHEMBL23229059

CCC(c1cccc2ccn(C(C)(C)C)c(=O)c12)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
MPI P34949 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1B1 Q16678 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ELANE P08246 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4076792 0.73 KMT2A (0.41) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL23229065 0.73 KMT2A (0.35) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL26597056 0.72 JAK2 (0.41) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL19425675 0.66 MEN1 (0.38) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL122923 0.65 KDM4E (0.41) ALDH1A1CASP1SMN1; SMN2KMT2AKDM4E
SCHEMBL25042596 0.65 FAAH (0.42) ALDH1A1HPGDCASP1MEN1KMT2A
SCHEMBL21167301 0.62 CYP3A4 (0.31) CYP3A4CYP2C9
SCHEMBL2696923 0.62 TSHR (0.42) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL23828934 0.60 MAPT (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL24498705 0.60 FAAH (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 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-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 ALDH1A1 1771/4885HPGD 643/4885CASP1 4212/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 ALDH1A1 1771/4885HPGD 643/4885CASP1 4212/4885

“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.