SCHEMBL5321509

SCHEMBL5321509

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL5321515 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCNR1CNR2OPRK1
SCHEMBL5468309 0.89 CNR1 (0.41) SMN1; SMN2MAPTCNR1CNR2OPRK1
SCHEMBL5469398 0.88 RAB9A (0.41) SMN1; SMN2MAPTCNR1CNR2OPRK1
SCHEMBL5324440 0.88 RAB9A (0.41) SMN1; SMN2MAPTCNR1CNR2OPRK1
SCHEMBL5321756 0.86 OPRK1 (0.49) SMN1; SMN2MAPTOPRK1LMNAKMT2A
SCHEMBL5321750 0.86 OPRK1 (0.49) SMN1; SMN2MAPTOPRK1LMNAKMT2A
SCHEMBL5322852 0.74 ROCK2 (0.35) CNR1OPRK1BTKLMNAKMT2A
SCHEMBL5468546 0.74 ROCK2 (0.35) CNR1OPRK1BTKLMNAKMT2A
SCHEMBL5468542 0.74 ROCK2 (0.35) CNR1OPRK1BTKLMNAKMT2A
Hydrochloric Acid SCHEMBL5323196 0.71 KDM4E (0.43) SMN1; SMN2F10

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 SMN1; SMN2 2875/4885MAPT 4189/4885CNR1 2132/4885

“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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