SCHEMBL4524255

SCHEMBL4524255

COC(=O)C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.57
SLC6A3 Q01959 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
KCNH2 Q12809 2/20 0.52
OPRK1 P41145 2/20 0.52
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL25333482 0.88 KMT2A (0.48) SLC6A4SLC6A3L3MBTL1KMT2ALMNA
SCHEMBL25335134 0.87 NR1H2 (0.54) SLC6A4SLC6A3L3MBTL1KMT2ALMNA
SCHEMBL7744542 0.86 ALDH1A1 (0.53) L3MBTL1KMT2AKCNH2OPRK1USP2
Hydrochloric Acid SCHEMBL30028803 0.85 ALDH1A1 (0.52) L3MBTL1KMT2AKCNH2OPRK1USP2
SCHEMBL11094118 0.83 LMNA (0.56) L3MBTL1KMT2ALMNAKCNH2OPRK1
SCHEMBL7371335 0.83 LMNA (0.56) L3MBTL1KMT2ALMNAKCNH2OPRK1
SCHEMBL15405283 0.82 SLC6A4 (0.54) SLC6A4SLC6A3L3MBTL1KMT2AKCNH2
SCHEMBL6121340 0.82 SLC6A4 (0.54) SLC6A4SLC6A3L3MBTL1KMT2AKCNH2
SCHEMBL29641206 0.82 SLC6A4 (0.54) SLC6A4SLC6A3L3MBTL1KMT2AKCNH2
SCHEMBL16765154 0.82 SLC6A4 (0.54) SLC6A4SLC6A3L3MBTL1KMT2AKCNH2

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-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A4 3031/4885SLC6A3 2132/4885L3MBTL1 1158/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A4 2612/4885SLC6A3 2074/4885L3MBTL1 1179/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC6A4 3109/4885SLC6A3 2220/4885L3MBTL1 1181/4885

“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.