SCHEMBL936018

SCHEMBL936018

Clc1ccc(OC2(CC3CCNC3)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.43
▸ SLC6A2 P23975 5/20 0.39
▸ SLC6A4 P31645 5/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ REN P00797 2/20 0.37
▸ NPY1R P25929 1/20 0.35
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL1057611 0.94 HTR3A (0.41) HTR3ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL935942 0.81 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL935386 0.81 SOS1 (0.39) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054193 0.80 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054322 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1057615 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL1059826 0.76 EED (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054927 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL935945 0.76 OPRL1 (0.37) HTR3ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1057574 0.76 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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 8 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
EP-2454234-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS Theravance, Inc. (US) 2012-05-23 — — EP 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
WO-2011008666-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 — — WO 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 HTR3A 27/4885SLC6A2 3/4885SLC6A4 2/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 HTR3A 27/4885SLC6A2 3/4885SLC6A4 2/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 HTR3A 27/4885SLC6A2 3/4885SLC6A4 2/4885

“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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