SCHEMBL31535546

SCHEMBL31535546

COC[C@@H]1CN(c2ccc3c4c(c(=O)oc3c2C)CNCC4)CCN1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 13/20 0.40
MTHFD1 P11586 9/20 0.40
ERN1 O75460 2/20 0.40
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL31535220 1.00 MTHFD2 (0.40) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535548 0.91 MTHFD2 (0.39) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535203 0.91 MTHFD2 (0.40) MTHFD2MTHFD1ERN1KDM4EALDH1A1
SCHEMBL31535507 0.90 ERN1 (0.39) MTHFD2MTHFD1ERN1KDM4EALDH1A1
SCHEMBL20209040 0.90 ERN1 (0.41) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535432 0.90 ERN1 (0.39) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535568 0.90 ERN1 (0.39) MTHFD2MTHFD1ERN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL21354112 0.89 ERN1 (0.41) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535183 0.89 ERN1 (0.38) MTHFD2MTHFD1ERN1MAOAKDM4E
SCHEMBL31535573 0.89 ERN1 (0.38) MTHFD2MTHFD1ERN1MAOAKDM4E

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-20250122212-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 US disclosed
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 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 (1 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-20250122212-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 MTHFD2 4302/4885MTHFD1 4427/4885ERN1 2454/4885

“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.