SCHEMBL1532332

SCHEMBL1532332

c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc3nccc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KMT2A Q03164 3/20 0.37
KCNN4 O15554 2/20 0.34
KCNA3 P22001 2/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.33
NR1I2 O75469 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TBXA2R P21731 2/20 0.33
CCKBR P32239 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
SLC22A1 O15245 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL392779 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL5240188 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL2279828 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL584588 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL27685085 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL10915007 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL4543871 0.74 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL6467815 0.70 KMT2A (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL6948425 0.70 KMT2A (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL4022590 0.70 CYP11B1 (0.40) CYP11B1CYP11B2KMT2AKCNN4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986652-B1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-7910596-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. 2010-09-16 US disclosed
EP-1986652-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-11-05 EP disclosed
WO-2007097931-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-08-30 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-20100234403-A1 Aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CYP11B1 1493/4885CYP11B2 1270/4885KMT2A 3176/4885

“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.