SCHEMBL173129

SCHEMBL173129

COC1CC2CCN(C)CC21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.34
MRGPRX2 Q96LB1 1/20 0.31
NCF1 P14598 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
SCHEMBL13394418 1.00 MCHR1 (0.34) MCHR1MRGPRX2NCF1
SCHEMBL16510048 1.00 MCHR1 (0.34) MCHR1MRGPRX2NCF1
SCHEMBL173122 0.84 MCHR1 (0.34) MCHR1MRGPRX2NCF1
SCHEMBL13394400 0.84 MCHR1 (0.34) MCHR1MRGPRX2NCF1
SCHEMBL16510067 0.84 SIGMAR1 (0.31) MRGPRX2NCF1
SCHEMBL13394421 0.84 SIGMAR1 (0.31) MRGPRX2NCF1
SCHEMBL173131 0.84 SIGMAR1 (0.31) MRGPRX2NCF1
SCHEMBL13394385 0.81
SCHEMBL96761 0.81
SCHEMBL173162 0.76 CHRNB2 (0.31)

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
US-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2012-03-08 US disclosed
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA (US) 2010-04-22 US disclosed
US-7632836-B2 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-12-15 US disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 US disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 US disclosed
WO-2008066874-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2008-06-05 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 (3 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-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A MCHR1 1593/4885MRGPRX2 2720/4885NCF1 4732/4885
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A MCHR1 1593/4885MRGPRX2 2720/4885NCF1 4732/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A MCHR1 1593/4885MRGPRX2 2720/4885NCF1 4732/4885

“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.