SCHEMBL5468546

SCHEMBL5468546

OC1CCC(NCCCN[C@H]2CCCN(c3ccc(Br)cc3F)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ CDC42BPB Q9Y5S2 3/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ F10 P00742 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL5468542 1.00 ROCK2 (0.35) ROCK2ROCK1CDC42BPBOPRK1CHEK1
SCHEMBL5322852 1.00 ROCK2 (0.35) ROCK2ROCK1CDC42BPBOPRK1CHEK1
SCHEMBL5469398 0.82 RAB9A (0.41) OPRK1CHEK1ALDH1A1LMNACNR1
SCHEMBL5324440 0.82 RAB9A (0.41) OPRK1CHEK1ALDH1A1LMNACNR1
SCHEMBL5468309 0.75 CNR1 (0.41) OPRK1ALDH1A1CNR1BTKCCR1
SCHEMBL5321509 0.74 SMN1; SMN2 (0.42) OPRK1F10LMNACNR1KMT2A
SCHEMBL5321515 0.74 SMN1; SMN2 (0.42) OPRK1F10LMNACNR1KMT2A
SCHEMBL27009114 0.72 F10 (0.39) CHEK1F10ALDH1A1LMNATSHR
SCHEMBL27009296 0.72 F10 (0.39) CHEK1F10ALDH1A1LMNATSHR
SCHEMBL5475241 0.71 PER2 (0.38) CHEK1F10BTKCCR1CCR2

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 1 patent. 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

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 ROCK2 3380/4885ROCK1 1514/4885CDC42BPB 2117/4885

“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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