SCHEMBL19214858

SCHEMBL19214858

CCCC(C)(CCc1ccccn1)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CHRM2 P08172 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21790794 0.81 MAOA (0.46) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL18893405 0.81 MAOA (0.49) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL19521900 0.78 CYP1A2 (0.53) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL31385340 0.77 MAOA (0.55) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL7749926 0.77 MAOA (0.55) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL30195799 0.73 CYP1A2 (0.58) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL116939 0.73 CYP1A2 (0.58) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL18400722 0.73 CYP1A2 (0.54) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL31536403 0.72 SMN1; SMN2 (0.58) CYP1A2ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL22421066 0.71 CYP1A2 (0.53) CYP1A2HRH3ALDH1A1LMNATAAR1

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 CYP1A2 3189/4885HRH3 2322/4885ALDH1A1 2313/4885

“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.