SCHEMBL4115773

SCHEMBL4115773

Cc1noc2c1CNCC2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.59
CHRM5 P08912 8/20 0.54
CHRM1 P11229 8/20 0.54
CHRM2 P08172 7/20 0.54
CHRM4 P08173 7/20 0.54
HTR2C P28335 3/20 0.49
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.47
HTR1D P28221 1/20 0.47
HTR1E P28566 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 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
Trifluoroacetic Acid SCHEMBL20424291 0.84 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL12292410 0.84 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL16221083 0.78 CHRM3 (0.56) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL455554 0.76 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL16220619 0.76 CHRM3 (0.54) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL19831902 0.76 CHRM3 (0.58) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL19297281 0.76 CHRM3 (0.58) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10651354 0.76 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
Bromide SCHEMBL10652839 0.74 CHRM3 (0.57) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10656906 0.74 CHRM3 (1.00) CHRM3CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
EP-4036094-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE The Trustees of Columbia University in the City of New York (US) 2022-08-03 EP disclosed
EP-3137168-B1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2022-01-05 EP disclosed
EP-3573986-B1 BICYCLIC BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-05-26 EP disclosed
EP-3573986-B1 BICYCLIC BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-05-26 EP disclosed
EP-3495357-B1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2021-05-05 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
WO-2018138088-A1 BICYCLIC BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2018-08-02 WO disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014152018-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 WO disclosed
WO-2014151959-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 WO disclosed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 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 (8 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A CHRM3 157/4885CHRM5 62/4885CHRM1 73/4885
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CHRM3 476/4885CHRM5 388/4885CHRM1 1635/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CHRM3 61/4885CHRM5 129/4885CHRM1 98/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A CHRM3 157/4885CHRM5 62/4885CHRM1 73/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN CHRM3 3961/4885CHRM5 3833/4885CHRM1 3294/4885
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES CHRM3 1043/4885CHRM5 1192/4885CHRM1 1470/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A CHRM3 157/4885CHRM5 62/4885CHRM1 73/4885

“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.