SCHEMBL3811686

SCHEMBL3811686

NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.69
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
CA12 O43570 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
GAA P10253 4/20 0.55
MAPK1 P28482 1/20 0.55
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL17730081 0.86 ALOX5 (0.71) ALOX5TP53MAPTLMNANPC1
SCHEMBL27979652 0.85 CA12 (0.71) ALOX5TP53MAPTLMNANPC1
SCHEMBL11837576 0.84 ALOX5 (0.69) ALOX5TP53MAPTLMNANPC1
SCHEMBL7470383 0.84 KMT2A (0.67) MAPTNPC1RAB9ASMN1; SMN2CA12
SCHEMBL7465149 0.84 KDM4E (0.72) TP53MAPTLMNANPC1RAB9A
SCHEMBL7303372 0.83 ALOX5 (0.68) ALOX5TP53MAPTLMNANPC1
SCHEMBL13202955 0.82 ALOX5 (0.66) ALOX5TP53MAPTLMNANPC1
SCHEMBL10596224 0.82 MAPT (0.69) ALOX5TP53MAPTLMNANPC1
SCHEMBL7467844 0.81 MAPT (0.75) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13713093 0.81 ALOX5 (0.77) ALOX5TP53MAPTLMNANPC1

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-1296974-B1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-08-05 EP disclosed
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed
EP-1296974-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2003-04-02 EP disclosed
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV VILLHAUER EDWIN BERNARD (US) 2002-12-19 US disclosed
US-6432969-B1 NON-INSULIN DEPENDENT DIABETES, OBESITY, ARTHRITIS, AND OSTEOPOROSIS TREATMENT NOVARTIS AG (CH) 2002-08-13 US disclosed
WO-2001096295-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-12-20 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 (2 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-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV DPP4, DPP9, DPP7 ALOX5 3521/4885TP53 4616/4885MAPT 4357/4885
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 ALOX5 1854/4885TP53 1368/4885MAPT 4215/4885

“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.