SCHEMBL4541906

SCHEMBL4541906

OCN1[C@@H]2CCC[C@H]1CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC29A1 Q99808 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
Hydrochloric Acid SCHEMBL7301092 0.97 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL31352322 0.78 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1ADRA2B
Hydrochloric Acid SCHEMBL25366868 0.76 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1SLC29A1
SCHEMBL9541697 0.74 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1SLC29A1
SCHEMBL13419757 0.71 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL3922326 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL9201195 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL14640442 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL737055 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ADRA2B
SCHEMBL5731686 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128315-B Compound, preparation method and application thereof, and glycosidase inhibitor 中国科学院化学研究所 2021-08-20 CN disclosed
US-20170280643-A1 Method of Improving the Growth and Production Output of Plants of the Family Solanaceae ANKNER CHARLES E (US) 2017-10-05 US disclosed
EP-1493744-B1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX INC (US) 2009-11-25 EP disclosed
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-10-18 US disclosed
US-7199132-B2 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2007-04-03 US disclosed
EP-1493744-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2005-01-05 EP disclosed
EP-0996619-B1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX INC (US) 2005-01-05 EP disclosed
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
US-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-06-05 US disclosed
US-20030069269-A1 Tropane analogs and methods for inhibition of monoamine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-10 US disclosed
US-6417221-B1 SEROTONIN REUPTAKE INHIBITORS OR ANTISEROTONIN AGENTS ORGANIX, INC. 2002-07-09 US disclosed
US-6353105-B1 INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; ORGANIX, INC. 2002-03-05 US disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 US disclosed
EP-0996619-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 2000-05-03 EP disclosed
US-5948933-A THERAPY FOR DRUG ABRUSE ORGANIX, INC. (US) 1999-09-07 US disclosed
WO-1999002526-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 1999-01-21 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 (4 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-20030069269-A1 Tropane analogs and methods for inhibition of monoamine SLC6A2, SLC6A4, SLC18A2 CHRM2 343/4885CHRM4 321/4885CHRM5 177/4885
US-20030105125-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 CHRM2 428/4885CHRM4 369/4885CHRM5 226/4885
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 CHRM2 405/4885CHRM4 375/4885CHRM5 222/4885
US-20070244149-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 CHRM2 428/4885CHRM4 369/4885CHRM5 226/4885

“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.