SCHEMBL18268167

SCHEMBL18268167

OC[C@H]1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.42
▸ CHRM2 P08172 5/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL415807 1.00 CHRNA7 (0.42) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
SCHEMBL18268169 1.00 CHRNA7 (0.42) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
Hydrochloric Acid SCHEMBL10978368 0.98 CHRNA7 (0.41) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
SCHEMBL2420280 0.88 — —
SCHEMBL7318990 0.88 — —
SCHEMBL7324063 0.81 CHRNA7 (0.39) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
SCHEMBL13617347 0.81 CHRNA7 (0.39) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
SCHEMBL28703379 0.79 CHRNA7 (0.38) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
SCHEMBL7328436 0.78 CHRNA7 (0.37) CHRNA7CHRM2CHRM1CHRNA4CYP2D6
Hydrochloric Acid SCHEMBL11442910 0.77 ALDH1A1 (0.40) CHRM2CHRM1CYP2D6CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 — — EP disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 — — US disclosed
US-9597323-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-03-21 — — US disclosed
US-9597323-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-03-21 — — US disclosed
WO-2016193244-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO disclosed
WO-2016193240-A1 AMINOESTER DERIVATIVES USEFUL IN THE TREATMENT OF COPD CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO disclosed
US-20160346260-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 — — US disclosed
US-20160346260-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 — — 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-20160346260-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3B CHRNA7 103/4885CHRM2 18/4885CHRM1 26/4885

“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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