SCHEMBL4980028

SCHEMBL4980028

CCCCN(CCCC)CC(N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 4/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GBA1 P04062 2/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4986011 0.93 SIGMAR1 (0.50) MEN1KMT2ANPSR1SIGMAR1KCNH2
SCHEMBL4988311 0.91 SIGMAR1 (0.42) SIGMAR1KCNH2GBA1TDP1
SCHEMBL4981472 0.84 SIGMAR1 (0.47) MEN1KMT2ASIGMAR1KCNH2MAPT
SCHEMBL4455539 0.82 SIGMAR1 (0.48) SIGMAR1KCNH2GBA1OPRM1DRD3
SCHEMBL4986079 0.81 SIGMAR1 (0.43) SIGMAR1KCNH2GBA1TDP1
SCHEMBL23112462 0.77 SIGMAR1 (0.45) SIGMAR1KCNH2MAPTKDM4EGBA1
SCHEMBL4851319 0.76 SLC2A1 (0.50) KDM4E
SCHEMBL22570767 0.76 SLC2A1 (0.50) KDM4E
SCHEMBL453579 0.76 SLC2A1 (0.50) KDM4E
SCHEMBL27287382 0.75 KCNH2 (0.58) SIGMAR1KCNH2OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
US-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-11-19 US disclosed
EP-2921228-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2015-09-23 EP disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US 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 (5 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-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL ACSL3, ACSL6, ALOX5 MEN1 481/4885KMT2A 2214/4885NPSR1 2618/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A MEN1 3945/4885KMT2A 3097/4885NPSR1 3703/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885NPSR1 348/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885NPSR1 348/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A MEN1 3945/4885KMT2A 3097/4885NPSR1 3703/4885

“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.