SCHEMBL31757526

SCHEMBL31757526

[2H]C1(C)CCN(CC(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
HPGDS O60760 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
JAK1 P23458 2/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL834995 0.82 ACHE (0.43) KDM1AHPGDSGPR119
SCHEMBL827042 0.82 KDM1A (0.38) KDM1AHPGDSGPR119JAK1JAK2
Ammonia Solution, Strong SCHEMBL27885711 0.80 ACHE (0.42) KDM1AHPGDSGPR119
SCHEMBL10271094 0.78 KDM1A (0.36) KDM1AHPGDSGPR119OPRM1OPRD1
SCHEMBL24914252 0.77 HRH3 (0.38) KDM1AHPGDSGPR119
SCHEMBL824189 0.77 KDM1A (0.36) KDM1AHPGDSGPR119OPRM1OPRD1
SCHEMBL17308225 0.75 KDM1A (0.35) KDM1AHPGDSGPR119
SCHEMBL445603 0.75 KDM1A (0.39) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL20160685 0.75 KDM1A (0.39) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL18024245 0.74 ACHE (0.36) KDM1AHPGDSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US claimed

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-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 KDM1A 3640/4885HPGDS 200/4885GPR119 749/4885

“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.