SCHEMBL23229016

SCHEMBL23229016

CCOB(O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
LMNA P02545 3/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
KDR P35968 1/20 0.39
S1PR1 P21453 1/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PYCR1 P32322 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
PDK1 Q15118 1/20 0.35
NOTUM Q6P988 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL25956840 0.78 MCL1 (0.38) S1PR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL29465748 0.77 HTR3E (0.47) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL177582 0.77 HTR3E (0.47) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL21754919 0.74 TRPV6 (0.53) IDO1LMNAALDH1A1MEN1KMT2A
SCHEMBL23858271 0.72 MGLL (0.59) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL21449321 0.71 ENPP2 (0.48) LMNAMAPTALDH1A1SMN1; SMN2PPARA
SCHEMBL12126640 0.69 LMNA (0.52) IDO1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL19088669 0.68 KDM4E (0.40) IDO1LMNAALDH1A1POLBL3MBTL1
SCHEMBL257875 0.68 CA1 (0.47) IDO1KDRPPARGPPARAMEN1
SCHEMBL21315979 0.68 ORAI1 (0.48) LMNAMAPTALDH1A1SMN1; SMN2POLB

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 IDO1 1232/4885LMNA 4824/4885HTR3E 104/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 IDO1 1232/4885LMNA 4824/4885HTR3E 104/4885

“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.