SCHEMBL19214816

SCHEMBL19214816

CC(Cc1ccccn1)NCc1cccc(CCN)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.51
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
APP P05067 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18158092 0.82 HRH1 (0.49) HRH1ALDH1A1CYP1A2CYP2C19GRIN2D
SCHEMBL20024594 0.79 HRH1 (0.62) HRH1ALDH1A1APPHRH3MAOA
SCHEMBL12733868 0.76 HRH1 (0.81) HRH1ALDH1A1CYP1A2APPHRH3
SCHEMBL20661516 0.76 FABP1 (0.51) CYP1A2APPCYP2D6MAPTTSHR
SCHEMBL23023058 0.76 SIGMAR1 (0.64) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19214862 0.74 CYP1A2 (0.59) HRH1ALDH1A1CYP1A2CYP2C19GRIN2D
SCHEMBL18898328 0.74 POLB (0.42) ALDH1A1CYP1A2CYP2C19HRH3MAOA
SCHEMBL42445 0.71
SCHEMBL30487681 0.71
SCHEMBL19101934 0.71 APP (0.65) HRH1ALDH1A1CYP1A2APPMAOA

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 HRH1 1572/4885ALDH1A1 2313/4885CYP1A2 3189/4885

“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.