SCHEMBL4953532

SCHEMBL4953532

c1ccc(CNCC2CCCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
KMT2A Q03164 1/20 0.50
MAN1B1 Q9UKM7 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
EED O75530 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
KDM1A O60341 2/20 0.43
HTR6 P50406 1/20 0.43
MAOB P27338 1/20 0.43
JAK3 P52333 1/20 0.43
HTR2C P28335 1/20 0.43
MC4R P32245 1/20 0.43

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
SCHEMBL11908903 0.90 CXCR4 (0.53) CXCR4KMT2AMAN1B1KDM1AMAOB
SCHEMBL13832686 0.90 CXCR4 (0.53) CXCR4KMT2AMAN1B1KDM1AMAOB
SCHEMBL23023148 0.85 SIGMAR1 (0.54) KMT2ASIGMAR1CHRNB2CHRNA4CHRNB4
SCHEMBL14740667 0.85 KMT2A (0.49) CXCR4KMT2ANPC1RAB9A
SCHEMBL6450191 0.83 MAN1B1 (0.57) CXCR4KMT2AMAN1B1NPC1RAB9A
SCHEMBL19314023 0.83 EED (0.48) CXCR4KMT2AEEDHTR6
Hydrochloric Acid SCHEMBL8503462 0.81 SIGMAR1 (0.47) KMT2ASIGMAR1HTR6
SCHEMBL10349210 0.81 CXCR4 (0.65) CXCR4KMT2AMAN1B1NPC1RAB9A
SCHEMBL23023087 0.81 CXCR4 (0.65) CXCR4KMT2AMAN1B1NPC1RAB9A
SCHEMBL22444295 0.81 TSHR (0.50) KMT2AEEDCHRNB2CHRNA4KDM1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP disclosed
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP disclosed
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP disclosed
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP disclosed
US-5703065-A Heteroarylamino and heteroarylsulfonamido substituted 3-benyzlaminomethyl piperidines and related compounds PFIZER INC. (US) 1997-12-30 US disclosed
EP-0719266-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1996-07-03 EP disclosed
EP-0719266-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1996-07-03 EP disclosed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 WO disclosed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 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 (1 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CXCR4 448/4885KMT2A 2156/4885MAN1B1 2449/4885

“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.