SCHEMBL340044

SCHEMBL340044

Cc1ccc(-c2cn3c(N4CCNCC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.37
HTR3A P46098 13/20 0.37
HTR7 P34969 6/20 0.35
HTR6 P50406 5/20 0.35
HTR1B P28222 4/20 0.35
HTR2A P28223 4/20 0.35
ADRB1 P08588 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
HTR2C P28335 3/20 0.35
HTR5A P47898 3/20 0.35
ADRB2 P07550 2/20 0.35
CYP2C9 P11712 2/20 0.35
HRH2 P25021 2/20 0.35
SLC6A4 P31645 2/20 0.35
HRH1 P35367 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NMT1 P30419 1/20 0.34

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
SCHEMBL339764 0.90 DPP4 (0.40) HTR3AHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL340176 0.90 DPP4 (0.38) HTR1AHTR3AHTR7HTR6HTR1B
SCHEMBL339243 0.88 NCF1 (0.37) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL338617 0.88 PIK3CA (0.38) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL8232635 0.84 CYP2D6 (0.32) CYP2D6HRH1
SCHEMBL339424 0.81 DPP4 (0.43) HTR1AHTR3AHTR2ACYP1A2CYP3A4
SCHEMBL340151 0.78 NCF1 (0.36) CYP1A2CYP3A4CYP2D6DPP4
SCHEMBL338621 0.78 DPP4 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL339811 0.78 PIK3CA (0.39) DPP4
SCHEMBL1913178 0.73 PAK3 (0.41) HTR1AHTR3AHTR7HTR6HTR2A

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 10 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
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC HTR1A 1887/4885HTR3A 2050/4885HTR7 1626/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC HTR1A 1887/4885HTR3A 2050/4885HTR7 1626/4885

“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.