SCHEMBL12506844

SCHEMBL12506844

CC(=O)CC1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 2/20 0.37
▸ CHRM3 P20309 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
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 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
SCHEMBL25607288 1.00 CHRM2 (0.47) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL21063738 0.82 CHRNA7 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL21063808 0.82 CHRNA7 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL4280104 0.82 CHRNA7 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL23406281 0.80 SLC6A12 (0.42) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL660508 0.80 CHRNA7 (0.45) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL29271818 0.80 CHRNA7 (0.40) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL6650217 0.80 CHRNA7 (0.40) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL6573447 0.80 CHRNA7 (0.45) CHRM2CYP2D6CHRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL26105242 0.80 SLC6A12 (0.42) CHRM2CYP2D6CHRM1MEN1KMT2A

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-20180051018-A1 QUINUCLIDINE DERIVATIVE LTT BIO-PHARMA CO., LTD. (JP) 2018-02-22 — — US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 — — 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 (2 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 CHRM2 493/4885CYP2D6 36/4885CHRM1 640/4885
US-20180051018-A1 QUINUCLIDINE DERIVATIVE CHRM3, CHRM1, NQO2 CHRM2 6/4885CYP2D6 2023/4885CHRM1 2/4885

“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.

Send feedback