SCHEMBL3497995

SCHEMBL3497995

COC(=O)c1cnc(-c2ccc(Cn3cnc4ccccc43)cc2)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.53
CYP11B2 P19099 6/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
BRD4 O60885 2/20 0.52
MAPK1 P28482 1/20 0.48
TNF P01375 1/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 2/20 0.46
DRD2 P14416 1/20 0.45
TBXA2R P21731 1/20 0.45
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
FGFR1 P11362 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL3497045 0.83 FGFR1 (0.65) HTTMAPTRAB9AFGFR1
SCHEMBL3497107 0.80 HDAC1 (0.70) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL8068177 0.80 BRD4 (0.52) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL3496676 0.79 CYP11B1 (0.59) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL3494308 0.78 CYP11B1 (0.60) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL13165078 0.78 CYP11B1 (0.60) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL1314013 0.77 RAB9A (0.53) SMN1; SMN2LMNAMAPK1TSHRALDH1A1
SCHEMBL17531384 0.75 HDAC1 (0.57) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL18003571 0.74 RAB9A (0.59) SMN1; SMN2LMNANPSR1ALDH1A1IDO1
SCHEMBL8078272 0.74 CYP11B1 (0.52) CYP11B1CYP11B2HTTSMN1; SMN2LMNA

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-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 CYP11B1 2926/4885CYP11B2 2281/4885HTT 775/4885

“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.