SCHEMBL3810001

SCHEMBL3810001

CC(C)(N)CNc1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 6/20 0.43
PRKCQ Q04759 6/20 0.43
PRKCE Q02156 5/20 0.43
PRKCD Q05655 5/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PKN1 Q16512 2/20 0.38
PKN2 Q16513 2/20 0.38
PRKCA P17252 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PRKCB P05771 2/20 0.38
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3808178 0.79 POLB (0.45) PRKCHPRKCQPRKCEPRKCDALDH1A1
SCHEMBL27879846 0.77 RAB9A (0.46) ALDH1A1GAALMNASMN1; SMN2NPC1
SCHEMBL8131156 0.74 PRKCH (0.43) PRKCHPRKCEALDH1A1GAALMNA
SCHEMBL3809777 0.73 PRKCH (0.43) PRKCHPRKCQPRKCEPRKCDGAA
SCHEMBL7367384 0.73 ALDH1A1 (0.44) ALDH1A1GAALMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL28301442 0.72 PRKCH (0.43) PRKCHPRKCEALDH1A1GAALMNA
SCHEMBL2296005 0.72 ALDH1A1 (0.50) PRKCHPRKCQPRKCEPRKCDALDH1A1
SCHEMBL10730331 0.71 SYK (0.50)
SCHEMBL6702643 0.71 PRKCH (0.45) PRKCHPRKCQPRKCEPRKCDROCK2
SCHEMBL3846786 0.70 KDM4E (0.47) ALDH1A1GAALMNASMN1; SMN2ROCK2

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 5 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
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 (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-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 PRKCH 1018/4885PRKCQ 1324/4885PRKCE 1046/4885

“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.