SCHEMBL12663106

SCHEMBL12663106

CCCC1CN2CCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA4 P43681 2/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ CHRM2 P08172 4/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL26462625 0.84 GNAI3 (0.41) CHRM2CHRM1
SCHEMBL14027182 0.81 CHRNA7 (0.42) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL21573624 0.81 CHRNA7 (0.42) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL2607983 0.81 CHRNA7 (0.42) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL13617347 0.77 CHRNA7 (0.39) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL7324063 0.77 CHRNA7 (0.39) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL7424270 0.77 CHRNA7 (0.44) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL9499956 0.77 CHRNA4 (0.37) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
Hydrochloric Acid SCHEMBL29607076 0.76 CHRNA7 (0.38) CHRNA4CHRNB2CHRNA7CHRM2CHRM1
SCHEMBL28703379 0.76 CHRNA7 (0.38) CHRNA4CHRNB2CHRNA7CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076605-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 — — WO disclosed
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 — — US disclosed
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 — — EP disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 — — US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 — — EP disclosed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 — — US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 — — WO disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 — — US disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 — — 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 (3 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-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRNA4 2955/4885CHRNB2 2960/4885CHRNA7 2794/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA4 9/4885CHRNB2 12/4885CHRNA7 2/4885
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRNA4 4613/4885CHRNB2 4559/4885CHRNA7 4631/4885

“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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