SCHEMBL14656766

SCHEMBL14656766

C#CCN1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.61
▸ HTR1A P08908 1/20 0.60
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ ATM Q13315 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ RCE1 Q9Y256 1/20 0.56

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
SCHEMBL30443405 1.00 SIGMAR1 (0.61) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL17517486 0.84 SIGMAR1 (0.68) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL6369610 0.81 HTR1A (0.71) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL1415530 0.79 HTR1A (0.81) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL10397222 0.78 SIGMAR1 (0.61) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL10675764 0.77 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL22549325 0.77 HTR1A (0.62) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL22528263 0.77 SIGMAR1 (0.79) SIGMAR1HTR1AGRIN2B
SCHEMBL967638 0.77 HDAC1 (0.60) SIGMAR1HTR1AMEN1KMT2AKDM4E
SCHEMBL17792374 0.77 SIGMAR1 (0.60) SIGMAR1HTR1AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 — — US disclosed
EP-4188919-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS Etat Français représenté par la Direction Centrale Du Service de Santé des Armées (FR) 2023-06-07 — — EP disclosed
US-9290750-B2 7,11-methanocycloocta [b] quinoline derivative as highly functionalizable acetylcholinesterase inhibitors UNIVERSITE DE ROUEN (FR) 2016-03-22 — — US disclosed
US-20150197735-A1 7,11-METHANOCYCLOOCTA [B] QUINOLINE DERIVATIVE AS HIGHLY FUNCTIONALIZABLE ACETYLCHOLINESTERASE INHIBITORS UNIVERSITE DE ROUEN (FR) 2015-07-16 — — US disclosed
US-9040506-B2 7,11-methanocycloocta [B] quinoline derivative as highly functionalizable acetylcholinesterase inhibitors UNIVERSITE DE ROUEN (FR) 2015-05-26 — — US disclosed
EP-2556057-B1 7,11-METHANOCYCLOOCTA[B]QUINOLINE DERIVATIVE AS HIGHLY FUNCTIONALIZABLE ACETYLCHOLINESTERASE INHIBITORS UNIV ROUEN (FR) 2014-08-27 — — EP disclosed
US-20130029941-A1 7,11-METHANOCYCLOOCTA [B] QUINOLINE DERIVATIVE AS HIGHLY FUNCTIONALIZABLE ACETYLCHOLINESTERASE INHIBITORS UNIVERSITE DE ROUEN (FR) 2013-01-31 — — 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-20130029941-A1 7,11-METHANOCYCLOOCTA [B] QUINOLINE DERIVATIVE AS HIGHLY FUNCTIONALIZABLE ACETYLCHOLINESTERASE INHIBITORS ACHE, BCHE, CHRNA7 SIGMAR1 2461/4885HTR1A 245/4885MEN1 1574/4885
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT SIGMAR1 2311/4885HTR1A 2783/4885MEN1 3307/4885

“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.

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