SCHEMBL3032068

SCHEMBL3032068

CCOC(=O)c1ccc(CCN2CCC(CNC(=O)c3nn(C(C)C)c4ccccc34)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.81
HTR2A P28223 9/20 0.79
KCNH2 Q12809 4/20 0.75

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
SCHEMBL3042859 0.89 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL13220645 0.88 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7341669 0.87 HTR4 (1.00) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL4413286 0.87 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL1405951 0.87 HTR4 (0.98) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL1405944 0.86 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL1405907 0.84 HTR4 (1.00) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL1405809 0.82 HTR4 (1.00) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7344927 0.81 HTR4 (0.85) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7344684 0.80 HTR4 (1.00) HTR4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207776-B9 DRUG ACTIVE IN NEUROPATHIC PAIN ACRAF (IT) 2016-12-21 EP disclosed
EP-2207776-B1 DRUG ACTIVE IN NEUROPATHIC PAIN ACRAF (IT) 2016-08-17 EP disclosed
US-8455519-B2 Drug active in neuropathic pain AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-06-04 US disclosed
US-20100215742-A1 DRUG ACTIVE IN NEUROPATHIC PAIN AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-08-26 US disclosed
EP-2207776-A1 DRUG ACTIVE IN NEUROPATHIC PAIN AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2010-07-21 EP disclosed
WO-2009062883-A1 DRUG ACTIVE IN NEUROPATHIC PAIN AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-05-22 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-20100215742-A1 DRUG ACTIVE IN NEUROPATHIC PAIN SCN1A, P2RX3, SCN3A HTR4 3321/4885HTR2A 4250/4885KCNH2 80/4885

“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.