SCHEMBL23744314

SCHEMBL23744314

C[C@@H]1CN(c2nc3ccc(F)cc3s2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 1/20 0.47
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CCR3 P51677 1/20 0.42
LTA4H P09960 1/20 0.41
CHRM4 P08173 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL23744635 0.95 NAAA (0.45) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL23744537 0.94 CCR3 (0.42) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL23744119 0.92 ALDH1A1 (0.43) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL23744311 0.91 PPARD (0.56) LMNAALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL30345656 0.89 NAAA (0.44) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL26429619 0.89 NAAA (0.44) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL23744534 0.89 ALDH1A1 (0.45) LMNAALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL23744063 0.88 PPARD (0.54) PPARGPPARDPPARA
SCHEMBL23744462 0.86 CCR3 (0.47) NAAALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL23744310 0.85 NAAA (0.55) NAAALMNAALDH1A1HPGDSMN1; SMN2

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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 NAAA 1419/4885LMNA 4283/4885ALDH1A1 1378/4885

“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.