SCHEMBL21573624

SCHEMBL21573624

CC[C@@H]1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRM2 P08172 5/20 0.39
▸ CHRM1 P11229 3/20 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

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
SCHEMBL2607983 1.00 CHRNA7 (0.42) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL14027182 1.00 CHRNA7 (0.42) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL9962908 0.88 — —
SCHEMBL25671378 0.82 CHRNA7 (0.33) CHRNA7CHRNA4CHRNB2
SCHEMBL12663106 0.81 CHRNA4 (0.40) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL21095847 0.81 CHRNA7 (0.45) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL21095885 0.81 CHRNA7 (0.40) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL9095986 0.76 CHRNA4 (0.37) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL22776221 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRNB2CHRM2CHRM1
SCHEMBL10915261 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRNB2CHRM2CHRM1

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-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 — — US disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP 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-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CHRNA7 295/4885CHRNA4 311/4885CHRNB2 111/4885

“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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