SCHEMBL18216018

SCHEMBL18216018

COC(=O)[C@@H]1CC[C@@H](N)[C@H](OC)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ BRD4 O60885 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ GAA P10253 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
SCHEMBL3554318 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18208837 0.85 GABRR1 (0.43) ANPEP
SCHEMBL3572854 0.85 GABRR1 (0.43) ANPEP
SCHEMBL3576387 0.84 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14403913 0.84 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17689727 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14504664 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2408642 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2410259 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2408638 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S CHRNB2 4333/4885CHRNA4 4447/4885CHRNB4 4632/4885

“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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