SCHEMBL4390848

SCHEMBL4390848

O=C(CN1CCNCC1)C(c1ccccc1)C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 9/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.44
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4400416 0.80 SIGMAR1 (0.48) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL11084994 0.79 CHRM3 (0.70) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL11083565 0.78 CHRM3 (0.71) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL4390822 0.78 POLB (0.55) CHRM3MEN1LMNAKMT2ASIGMAR1
SCHEMBL67619 0.72 HTR1E (0.60) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL28486184 0.72 HTR1E (0.60) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL13114874 0.71 CACNA2D1 (0.50) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL4678502 0.70 SLC6A3 (0.60) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL5049598 0.70 HTR1E (0.57) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL8365416 0.69 HTR1E (0.61) MEN1LMNAMAPTHTR1EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 — — US disclosed
US-20040110229-A1 Muscarinic receptor antagonists PNC BANK, NATIONAL ASSOCIATION 2004-06-10 — — US disclosed
US-6693202-B1 MULTIBINDING LIGANDS CONTAINING SUCH AS AMINE, AMIDE, ESTER, HYDROXYL, CARBAMATE, UREA AND/OR IMINO FUNCTIONALITY THERAVANCE, INC. 2004-02-17 — — 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-20040110229-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885MEN1 3774/4885LMNA 4772/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885MEN1 3774/4885LMNA 4772/4885

“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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