SCHEMBL7203008

SCHEMBL7203008

NC1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.67
▸ RAB9A P51151 8/20 0.67
▸ NPC1 O15118 5/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MAPT P10636 5/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ AR P10275 1/20 0.50

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
SCHEMBL2555926 0.86 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL3813999 0.86 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL2554297 0.83 SMN1; SMN2 (0.78) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3816958 0.83 RAB9A (0.73) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL2043877 0.82 FFAR2 (0.64) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL29157423 0.80 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL3006940 0.80 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL3017336 0.78 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL2224767 0.77 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12937251 0.76 PTPN1 (0.48) SMN1; SMN2RAB9ANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 2692/4885RAB9A 3466/4885NPC1 454/4885

“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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