SCHEMBL3966801

SCHEMBL3966801

CC(C)C1CCN(N)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL22326450 0.84
SCHEMBL7696250 0.79 DPP4 (0.30)
SCHEMBL13636064 0.79 HTT (0.32) HTT
SCHEMBL21585093 0.77 OPRM1 (0.31)
SCHEMBL13654349 0.75
SCHEMBL105239 0.74 NCF1 (0.40)
SCHEMBL22047752 0.74 OPRM1 (0.30)
SCHEMBL25876673 0.74
SCHEMBL24004088 0.72
SCHEMBL290055 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
US-11001586-B2 Alkyl pyrrolopyrimidine analogs and methods of making and using same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-05-11 US disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 US disclosed
EP-3715343-A1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2020-09-30 EP disclosed
US-20200062764-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-02-27 US disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (9 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 NOS3 999/4885NOS1 1093/4885NOS2 931/4885
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK NOS3 4185/4885NOS1 3033/4885NOS2 3651/4885
US-11001586-B2 Alkyl pyrrolopyrimidine analogs and methods of making and using same TYRO3, MERTK, LCK NOS3 1223/4885NOS1 2590/4885NOS2 2710/4885
US-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS GPR119, GPR180, GPR139 NOS3 2161/4885NOS1 1679/4885NOS2 1902/4885
US-20200062764-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME TYRO3, MERTK, LCK NOS3 1223/4885NOS1 2590/4885NOS2 2710/4885
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 NOS3 3182/4885NOS1 2500/4885NOS2 2477/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK NOS3 4315/4885NOS1 3338/4885NOS2 3917/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 NOS3 1403/4885NOS1 1736/4885NOS2 1616/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 NOS3 1235/4885NOS1 1275/4885NOS2 1069/4885

“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.