SCHEMBL2438935

SCHEMBL2438935

N=C(CCCc1ccccc1)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ LMNA P02545 4/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ABCB1 P08183 2/20 0.43
▸ CHRM3 P20309 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ PREP P48147 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL2924032 0.76 TSHR (0.56) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL8819203 0.74 TSHR (0.71) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL8820471 0.73 TSHR (0.71) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL4886615 0.73 LMNA (0.56) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL4894517 0.73 SMN1; SMN2 (0.47) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL8819880 0.73 TSHR (0.69) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL4892508 0.73 SMN1; SMN2 (0.47) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL8109277 0.71 TSHR (0.66) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL4895060 0.70 TSHR (0.52) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL15127558 0.70 TSHR (0.65) TSHRLMNANPSR1TP53ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 — — US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 — — US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 — — US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 — — US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 — — US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 — — US disclosed
US-20110294851-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-01 — — US disclosed
US-20110294851-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-01 — — US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 — — US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 — — US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 — — US disclosed
EP-2222637-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-09-01 — — EP disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 — — US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 — — US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 — — US disclosed
WO-2009079392-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-25 — — WO disclosed
WO-2009079392-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-25 — — WO 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-20110294851-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 TSHR 132/4885LMNA 1918/4885NPSR1 166/4885
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 TSHR 132/4885LMNA 1918/4885NPSR1 166/4885
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 TSHR 132/4885LMNA 1918/4885NPSR1 166/4885

“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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