SCHEMBL1060862

SCHEMBL1060862

Clc1ccc(OC2(CC3CCNC3)CC2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.37
▸ SLC6A4 P31645 8/20 0.37
▸ SLC6A3 Q01959 8/20 0.37
▸ MAP2K1 Q02750 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR2B P41595 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR1E P28566 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ LMNA P02545 2/20 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
SCHEMBL1054627 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR2BHTR1A
SCHEMBL1059607 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MAP2K1HTR2B
SCHEMBL1059163 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KDM1AHTR1A
SCHEMBL935109 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2BHTR1A
SCHEMBL1054990 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAP2K1HTR2B
SCHEMBL1058592 0.78 HTR2C (0.37) SLC6A2SLC6A4SLC6A3MAP2K1KDM1A
SCHEMBL1058268 0.76 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2BHTR1A
SCHEMBL1059167 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1059129 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2BHTR2C
SCHEMBL1061629 0.76 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MAP2K1HTR2B

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-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-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 (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-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 6/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 6/4885

“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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