SCHEMBL2102540

SCHEMBL2102540

O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
CYP2C19 P33261 1/20 0.46
KDM1A O60341 2/20 0.45
PLD1 Q13393 1/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
OPRK1 P41145 3/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL4251493 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL1196006 0.84 MEN1 (0.51) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL1196005 0.84 MEN1 (0.51) SMN1; SMN2NPC1RAB9AGAAMAPK1
Hydrochloric Acid SCHEMBL8582025 0.83 MEN1 (0.50) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL12990594 0.83 HDAC1 (0.52) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2104310 0.82 MEN1 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3892412 0.81 CRBN (0.51) PLD1KCNH2DDB1CRBN
SCHEMBL6247721 0.81 BACE1 (0.56) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL25233171 0.80 HDAC1 (0.48) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL10263318 0.78 MEN1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-2027106-A2 CGRP RECEPTOR ANTAGONISTS Vertex Pharmaceuticals Incorporated (US) 2009-02-25 EP disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR SMN1; SMN2 3467/4885NPC1 488/4885RAB9A 1461/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SMN1; SMN2 3349/4885NPC1 1160/4885RAB9A 1944/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 SMN1; SMN2 3746/4885NPC1 990/4885RAB9A 2657/4885

“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.