SCHEMBL5324440

SCHEMBL5324440

O=C(CC(=O)N[C@H]1CC[C@@H](O)CC1)N[C@H]1CCCN(c2ccc(Br)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BTK Q06187 4/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ USP30 Q70CQ3 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
SCHEMBL5469398 1.00 RAB9A (0.41) RAB9ASMN1; SMN2MAPTALDH1A1OPRK1
SCHEMBL5321509 0.88 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2MAPTOPRK1NPC1
SCHEMBL5321515 0.88 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2MAPTOPRK1NPC1
SCHEMBL5468309 0.83 CNR1 (0.41) SMN1; SMN2MAPTALDH1A1OPRK1HPGD
SCHEMBL5321750 0.83 OPRK1 (0.49) SMN1; SMN2MAPTALDH1A1OPRK1LMNA
SCHEMBL5321756 0.83 OPRK1 (0.49) SMN1; SMN2MAPTALDH1A1OPRK1LMNA
SCHEMBL5468542 0.82 ROCK2 (0.35) ALDH1A1OPRK1LMNAKMT2ABTK
SCHEMBL5322852 0.82 ROCK2 (0.35) ALDH1A1OPRK1LMNAKMT2ABTK
SCHEMBL5468546 0.82 ROCK2 (0.35) ALDH1A1OPRK1LMNAKMT2ABTK
SCHEMBL5475241 0.72 PER2 (0.38) BTKCHEK1

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
WO-2007103719-A2 MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-09-13 — — WO disclosed
US-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same INCYTE CORPORATION 2007-09-06 — — 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 (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-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 RAB9A 3495/4885SMN1; SMN2 2875/4885MAPT 4189/4885

“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.

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