SCHEMBL168287

SCHEMBL168287

NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KCNH2 Q12809 8/20 0.51
OPRK1 P41145 6/20 0.51
OPRM1 P35372 5/20 0.51
OPRD1 P41143 3/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
SLC6A2 P23975 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM3 P20309 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL21777244 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL15021133 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL168286 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL21772974 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL4995917 0.98 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL4020237 0.96 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL20967986 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL9023345 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL8120312 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL21266577 0.91 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRNB2CHRNA7

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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US claimed
EP-0861252-B1 NAPHTHAMIDE DERIVATIVES OF 3 BETA-AMINO AZABICYCLO OCTANE OR NONANE AS NEUROLEPTIC AGENTS PF MEDICAMENT (FR) 2000-02-23 EP claimed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 EP disclosed
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 WO disclosed
US-10556899-B2 Method for preparing Maraviroc SCI PHARMTECH, INC. (TW) 2020-02-11 US disclosed
EP-0081054-A2 Azabicyclo alkyl derivatives BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0069481-A1 Azabicycloalkyl benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-01-12 EP disclosed
EP-0069482-A1 Azabicycloalkyl benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-01-12 EP disclosed
EP-0068700-A1 Azobicycloalkylbenzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-01-05 EP disclosed
EP-0055524-A2 Bicyclo (3,2,1) octylbenzamides, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1982-07-07 EP disclosed
US-4336259-A DOPAMINE ANTAGONIST, NERVOUS SYSTEM DISORDERS AND GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1982-06-22 US disclosed
EP-0042705-A1 Azabicycloalkane derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1981-12-30 EP disclosed
US-4273778-A TREATMENT OF GASTROINTESTINAL DISORDERS, NERVOUS SYSTEM DISORDERS, AND PSYCHOLOGICAL DISORDERS BEECHAM GROUP, LIMITED (GB) 1981-06-16 US disclosed
EP-0013138-A1 Azabicycloalkyl derivatives, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-07-09 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 (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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 CHRM2 21/4885CHRM4 190/4885CHRM5 162/4885
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING RBM17, SF3B1, SF3B5 CHRM2 4797/4885CHRM4 4734/4885CHRM5 4726/4885
US-10556899-B2 Method for preparing Maraviroc CYP3A43, NAT10, CYP3A5 CHRM2 456/4885CHRM4 795/4885CHRM5 574/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 CHRM2 194/4885CHRM4 290/4885CHRM5 246/4885

“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.