SCHEMBL22496063

SCHEMBL22496063

O=C(O)N(c1ccon1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
S1PR3 Q99500 7/20 0.38
S1PR1 P21453 3/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL14844388 0.71 TSHR (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6215102 0.69 KDM4E (0.68) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL15414899 0.69 TRPM8 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19250267 0.67 NR3C2 (0.39) MEN1KMT2AGAA
SCHEMBL11407980 0.67 MEN1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22496048 0.66 TSHR (0.38) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL27629277 0.66 NPC1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1690729 0.66 RAB9A (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3846783 0.66 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11115599 0.66 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 5 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
CN-112041316-A Isoxazole O-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2020-12-04 CN 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 ALDH1A1 3219/4885SMN1; SMN2 4501/4885NPC1 846/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 ALDH1A1 3220/4885SMN1; SMN2 4473/4885NPC1 887/4885

“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.