SCHEMBL2226246

SCHEMBL2226246

c1ccc2c(c1)OC1CNCCC21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.58
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL20045526 1.00 HTR6 (0.58) HTR6CHRM2CHRM4CHRM1SLC6A2
Hydrochloric Acid SCHEMBL2223844 0.98 HTR6 (0.60) HTR6CHRM2CHRM4CHRM1SLC6A2
SCHEMBL4233870 0.86 HTR6 (0.45) HTR6HTR2C
Hydrochloric Acid SCHEMBL6644060 0.85 HTR6 (0.47) HTR6HTR2C
SCHEMBL18204707 0.84 HTR6 (0.42) HTR6HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL18204598 0.82 HTR6 (0.44) HTR6HTR2AHTR2CHTR2B
SCHEMBL11959914 0.78 HTR6 (0.43) HTR6
SCHEMBL23899062 0.78 HTR6 (0.58) HTR6HTR2AHTR2C
SCHEMBL13836022 0.78 HTR6 (0.47) HTR6CHRM2CHRM4CHRM1SLC6A2
SCHEMBL30369327 0.78 HTR6 (0.58) HTR6HTR2AHTR2C

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
US-12492187-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-12-09 US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
EP-4125892-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme LLC (US) 2023-02-08 EP disclosed
WO-2021202254-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 WO disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
EP-2516445-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 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 (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-12492187-B2 Factor XI activation inhibitors F11, TFPI, F13B HTR6 4391/4885CHRM2 4434/4885CHRM4 4767/4885
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B HTR6 4391/4885CHRM2 4434/4885CHRM4 4767/4885
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 HTR6 537/4885CHRM2 392/4885CHRM4 1024/4885

“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.