SCHEMBL5468309

SCHEMBL5468309

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CCR1 P32246 2/20 0.39
▸ CCR2 P41597 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ BTK Q06187 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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 0.89 SMN1; SMN2 (0.42) CNR1CNR2USP30OPRK1BTK
SCHEMBL5321509 0.89 SMN1; SMN2 (0.42) CNR1CNR2USP30OPRK1BTK
SCHEMBL5324440 0.83 RAB9A (0.41) CNR1CNR2USP30OPRK1ALDH1A1
SCHEMBL5469398 0.83 RAB9A (0.41) CNR1CNR2USP30OPRK1ALDH1A1
SCHEMBL5321750 0.83 OPRK1 (0.49) OPRK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5321756 0.83 OPRK1 (0.49) OPRK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20292921 0.80 PBK (0.39) CNR1CNR2BTK
SCHEMBL20292916 0.80 PBK (0.39) CNR1CNR2BTK
SCHEMBL6365479 0.79 CNR1 (0.51) CNR1ALDH1A1SMN1; SMN2
SCHEMBL6365484 0.79 CNR1 (0.51) CNR1ALDH1A1SMN1; 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-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
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 — — 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-20070208001-A1 Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same HSD11B1, HSD17B1, HSD3B1 CNR1 2132/4885CNR2 3450/4885USP30 1314/4885
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides PAH, PM20D2, FARSA CNR1 2684/4885CNR2 2586/4885USP30 1256/4885

“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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