SCHEMBL4390822

SCHEMBL4390822

O=C(CN1CCN(Cc2ccccc2Cl)CC1)C(c1ccccc1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.50
▸ FAAH O00519 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ CXCR4 P61073 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL8861873 0.79 SIGMAR1 (0.52) POLBSIGMAR1FAAHALDH1A1HTT
SCHEMBL4390848 0.78 CHRM3 (0.48) SIGMAR1MEN1KMT2ACHRM3LMNA
SCHEMBL2074596 0.73 POLB (0.65) POLBSIGMAR1FAAHALDH1A1HTT
SCHEMBL11360607 0.71 SIGMAR1 (0.85) SIGMAR1FAAHALDH1A1HTTKMT2A
SCHEMBL2931693 0.71 FAAH (0.70) POLBSIGMAR1FAAHALDH1A1HTT
SCHEMBL10144127 0.70 TP53 (0.60) POLBALDH1A1MEN1KMT2ACXCR4
SCHEMBL28534607 0.70 CXCR4 (0.58) POLBSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL28910476 0.69 CXCR4 (0.61) POLBSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL23851311 0.69 SIGMAR1 (0.72) POLBSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL9417737 0.69 SIGMAR1 (0.72) POLBSIGMAR1ALDH1A1HTTKMT2A

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 POLB 3712/4885SIGMAR1 407/4885FAAH 1081/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 POLB 3712/4885SIGMAR1 407/4885FAAH 1081/4885

“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.

Send feedback