SCHEMBL3373439

SCHEMBL3373439

C1CC(CNC2CC2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
CYP2D6 P10635 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM1A O60341 9/20 0.36
KCNH3 Q9ULD8 1/20 0.34
OPRL1 P41146 4/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CCR2 P41597 1/20 0.32
RCOR1 Q9UKL0 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL18111505 0.90 OPRL1 (0.39) IRAK4KDM1AOPRL1RCOR1
Hydrochloric Acid SCHEMBL20300027 0.88 OPRL1 (0.38) IRAK4KDM1AOPRL1RCOR1
SCHEMBL1678728 0.81
SCHEMBL23943526 0.81 OPRL1 (0.37) IRAK4KDM1AOPRL1RCOR1
SCHEMBL8228444 0.78 LMNA (0.35) IRAK4KDM1ATMEM97
SCHEMBL15014583 0.78 IRAK4 (0.35) IRAK4
SCHEMBL17437760 0.76 LMNA (0.38) IRAK4TMEM97
SCHEMBL1679210 0.76
SCHEMBL1678793 0.76 ADH1B (0.42) CYP2D6TMEM97
SCHEMBL5360130 0.76 KCNH3 (0.37) KDM1AKCNH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129369-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-02-15 EP disclosed
WO-2015156417-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 WO disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 IRAK4 3659/4885CYP2D6 329/4885HRH1 1147/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC IRAK4 1252/4885CYP2D6 422/4885HRH1 666/4885

“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.