SCHEMBL4394813

SCHEMBL4394813

CCNCC1=CC(c2ccccc2)(c2ccccc2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.31
MITF O75030 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9846576 0.76 EGFR (0.32) BACE1BACE2SMN1; SMN2TSHRGAA
SCHEMBL7674692 0.76 MAOB (0.33) BACE1BACE2SMN1; SMN2MEN1KMT2A
SCHEMBL9772859 0.76 GAA (0.37) SMN1; SMN2TSHRKMT2AGAAPOLB
SCHEMBL9772838 0.71
SCHEMBL9846603 0.70 MMP2 (0.34) BACE1BACE2SMN1; SMN2CYP2C19MEN1
SCHEMBL4395561 0.66 CYP11B1 (0.49) CYP1A2POLB
SCHEMBL27951965 0.60 KMT2A (0.55) SMN1; SMN2TSHRCYP2C19LMNAMEN1
SCHEMBL2146 0.60 MEN1 (0.64) SMN1; SMN2MEN1KMT2AGAATDP1
Benzene SCHEMBL7471176 0.60 MEN1 (0.64) SMN1; SMN2MEN1KMT2AGAATDP1
Ammonia Solution, Strong SCHEMBL3582415 0.58 MEN1 (0.61) SMN1; SMN2MEN1KMT2AGAATDP1

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 SLC6A2 2407/4885SLC6A4 2310/4885BACE1 2092/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 SLC6A2 2407/4885SLC6A4 2310/4885BACE1 2092/4885

“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.