SCHEMBL339768

SCHEMBL339768

CN1CCC(N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.36
CXCR3 P49682 3/20 0.35
DPP4 P27487 4/20 0.34
DPP8 Q6V1X1 2/20 0.34
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
ATR Q13535 1/20 0.32
PAK4 O96013 1/20 0.32
PAK1 Q13153 1/20 0.32
PKN1 Q16512 1/20 0.32
CNR1 P21554 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL338785 0.91 DPP4 (0.39) DPP4DPP8PAK4PAK1PKN1
SCHEMBL340037 0.84 DPP4 (0.39) DPP4DPP8CNR1
SCHEMBL338682 0.83 NPY1R (0.39) DPP4DPP8ATR
SCHEMBL340151 0.82 NCF1 (0.36) ACVR1DPP4DPP8CNR1KCNH2
SCHEMBL338770 0.82 HTR1A (0.38) KMT2ACNR1KCNH2
SCHEMBL1911442 0.81 DPP4 (0.34) DPP4DPP8
SCHEMBL338966 0.81 ALDH1A1 (0.46) DPP4DPP8KMT2ACNR1
SCHEMBL339235 0.81 DPP4 (0.43) DPP4DPP8
SCHEMBL339424 0.81 DPP4 (0.43) DPP4DPP8PAK4PAK1PKN1
SCHEMBL339127 0.81 DPP4 (0.43) DPP4DPP8KMT2APIK3CAMTOR

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 ACVR1 2549/4885CXCR3 2839/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ACVR1 2549/4885CXCR3 2839/4885DPP4 120/4885

“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.