SCHEMBL339904

SCHEMBL339904

CN1CCN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
DPP4 P27487 5/20 0.43
DPP8 Q6V1X1 5/20 0.43
DPP9 Q86TI2 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 2/20 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
SCHEMBL339827 0.93 DPP4 (0.43) ALPLLMNATP53ALOX15TSHR
SCHEMBL340135 0.91 DPP4 (0.42) ALPLTSHRDPP4DPP8DPP9
SCHEMBL340178 0.90 DPP4 (0.42) ALPLDPP4DPP8DPP9MEN1
SCHEMBL1911458 0.90 DPP4 (0.41) ALPLTP53DPP4DPP8DPP9
SCHEMBL339484 0.89 TSHR (0.45) LMNATSHRDPP4DPP8DPP9
SCHEMBL339040 0.89 DPP4 (0.53) ALPLDPP4DPP8DPP9ALDH1A1
SCHEMBL339964 0.89 DPP4 (0.41) ALPLTP53DPP4DPP8DPP9
SCHEMBL339770 0.89 PIK3CA (0.44) ALPLDPP4DPP8DPP9MEN1
SCHEMBL338672 0.89 DPP4 (0.49) ALPLLMNATP53DPP4DPP8
SCHEMBL340329 0.87 KDM4E (0.45) LMNATSHRDPP4DPP8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALPL 1177/4885LMNA 3629/4885TP53 3540/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALPL 1177/4885LMNA 3629/4885TP53 3540/4885

“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.