SCHEMBL1059871

SCHEMBL1059871

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM1A O60341 5/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ RCOR1 Q9UKL0 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
SCHEMBL1058592 0.85 HTR2C (0.37) CHRM3HTR2CCYP2C19KDM1ASLC6A4
SCHEMBL935945 0.81 OPRL1 (0.37) CHRM3HTR2CHTR2AKDM1ASLC6A4
SCHEMBL1059129 0.78 SLC6A2 (0.46) HTR2CCYP2D6SLC6A4HTR2BHPGD
SCHEMBL1059551 0.75 SLC6A2 (0.47) HTR2CCYP2D6SLC6A4HTR2BKCNH2
SCHEMBL935942 0.74 SLC6A4 (0.44) HTR2CSLC6A4HTR2BHPGDALDH1A1
SCHEMBL1054990 0.73 SLC6A2 (0.46) CHRM3HTR2CCYP2D6SLC6A4HTR2B
SCHEMBL935109 0.73 SLC6A2 (0.38) HTR2CCYP2D6SLC6A4HTR2BKCNH2
SCHEMBL1054924 0.73 SLC6A4 (0.43) HTR2CHTR2ACYP2D6SLC6A4HTR2B
SCHEMBL1054627 0.72 SLC6A2 (0.43) HTR2ACYP2D6SLC6A4HTR2BSLC6A2
SCHEMBL1059607 0.72 SLC6A2 (0.33) HTR2CHTR2ACYP2D6SLC6A4HTR2B

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 CHRM3 70/4885HTR2C 31/4885HTR2A 48/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 CHRM3 70/4885HTR2C 31/4885HTR2A 48/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 CHRM3 70/4885HTR2C 31/4885HTR2A 48/4885

“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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