SCHEMBL22496048

SCHEMBL22496048

O=C(Oc1ccon1)N(c1cnccn1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TRPM8 Q7Z2W7 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL21807823 0.77 TSHR (0.37) TSHRALDH1A1TRPM8SMN1; SMN2NPC1
SCHEMBL22496056 0.73
SCHEMBL28508383 0.72 S1PR3 (0.34) TSHRALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL22496063 0.66 ALDH1A1 (0.40) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL4962367 0.65 RPLP1 (0.40) TSHRALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL2369958 0.65 TSHR (0.39) TSHRALDH1A1TRPM8SMN1; SMN2MEN1
SCHEMBL22496037 0.64 ALDH1A1 (0.54) ALDH1A1
SCHEMBL28635252 0.63 PTGIR (0.34) TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL22496031 0.63 SMN1; SMN2 (0.37) TSHRALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL21807806 0.62 ALDH1A1 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 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-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 TSHR 412/4885ALDH1A1 3219/4885TRPM8 1098/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 TSHR 441/4885ALDH1A1 3220/4885TRPM8 982/4885

“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.