SCHEMBL19212970

SCHEMBL19212970

CN(C)CCC(CN(C)C)NCCN(C)CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 3/20 0.43
RECQL P46063 1/20 0.43
CHRM2 P08172 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
ATM Q13315 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL18158099 0.89 CHRM2 (0.43) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL18158109 0.81 TAAR1 (0.49) SLC6A2SLC6A4TAAR1HRH1SLC6A3
SCHEMBL20024597 0.79 KDM4E (0.54) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL31059181 0.77 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL12819456 0.77 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL31059180 0.77 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL13699036 0.76 KDM4E (0.60) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL20032082 0.75 CYP2C19 (0.40) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL20032096 0.74 KDM4E (0.46) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL18158104 0.73 CA12 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 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 (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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 KDM4E 2067/4885TSHR 3457/4885TDP1 3170/4885

“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.