SCHEMBL1058592

SCHEMBL1058592

Cc1ccc(OC2(CC3CCNC3)CC2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ CHRM3 P20309 2/20 0.35
▸ KDM1A O60341 4/20 0.34
▸ OPRL1 P41146 1/20 0.33
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL935945 0.95 OPRL1 (0.37) HTR2CHTR2BMAP2K1CHRM3KDM1A
SCHEMBL1059871 0.85 CHRM3 (0.35) HTR2CHTR2BCHRM3KDM1ASLC6A2
SCHEMBL1054990 0.85 SLC6A2 (0.46) HTR2CHTR2BMAP2K1CHRM3SLC6A2
SCHEMBL1059129 0.83 SLC6A2 (0.46) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL1054627 0.82 SLC6A2 (0.43) HTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL935109 0.81 SLC6A2 (0.38) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL1059551 0.80 SLC6A2 (0.47) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL1059607 0.79 SLC6A2 (0.33) HTR2CHTR2BMAP2K1SLC6A2SLC6A4
SCHEMBL935942 0.79 SLC6A4 (0.44) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL1054322 0.78 SLC6A2 (0.37) HTR2CHTR2BMAP2K1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 — — EP disclosed
US-9227933-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-01-05 — — US disclosed
US-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-05-07 — — US disclosed
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-10-20 — — US disclosed
US-7994209-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2011-08-09 — — US disclosed
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 — — 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 (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-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 HTR2C 31/4885HTR2B 68/4885MAP2K1 3518/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 HTR2C 31/4885HTR2B 68/4885MAP2K1 3518/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 HTR2C 31/4885HTR2B 68/4885MAP2K1 3518/4885

“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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