SCHEMBL2255752

SCHEMBL2255752

Cc1oc2cc(C(C)C)nn2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
DPP4 P27487 6/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR1 P34998 5/20 0.38
NPC1 O15118 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1924207 0.85 DPP4 (0.50) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL2255303 0.81 DPP4 (0.41) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL1924189 0.81 CRHR1 (0.42) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL2256465 0.80 PTGS1 (0.41) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL2254961 0.79 HSD11B1 (0.40) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL2260437 0.79 CRHR1 (0.43) HSD11B1DPP4CRHR1DPP8
SCHEMBL2255045 0.78 DPP4 (0.49) HSD11B1DPP4HTR2AHTR2CHTR2B
SCHEMBL2261339 0.74 NPC1 (0.40) HSD11B1DPP4USP2ALDH1A1HPGD
SCHEMBL12360953 0.74 CRHR1 (0.39) DPP4HPGDCRHR1NPC1DPP8
SCHEMBL1922431 0.73 DPP4 (0.39) HSD11B1DPP4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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 (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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 HSD11B1 229/4885DPP4 958/4885HTR2A 193/4885

“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.