SCHEMBL19214819

SCHEMBL19214819

CCC(C)(N)Cc1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
MBOAT4 Q96T53 1/20 0.40
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
GLS O94925 3/20 0.36
CYP2D6 P10635 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A4 P31645 2/20 0.36
TACR1 P25103 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 1/20 0.34

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
SCHEMBL18160809 0.87 KIF11 (0.34) NOS3NOS2ALDH1A1GAACYP3A4
SCHEMBL17109724 0.82 NOS3 (0.48) NOS3NOS2MBOAT4ADRB2ALDH1A1
SCHEMBL2616106 0.78 NOS3 (0.52) NOS3NOS2MBOAT4ADRB2ALDH1A1
SCHEMBL21503646 0.75 CYP2D6 (0.52) NOS3NOS2MBOAT4ADRB2ALDH1A1
SCHEMBL20428037 0.75 NOS3 (0.36) NOS3NOS2MBOAT4ADRB2ALDH1A1
SCHEMBL1443247 0.74 NOS3 (0.57) NOS3NOS2MBOAT4ADRB2ALDH1A1
Hydrochloric Acid SCHEMBL2085449 0.73 NOS3 (0.55) NOS3NOS2MBOAT4ADRB2ALDH1A1
Hydrochloric Acid SCHEMBL16235735 0.73 NOS3 (0.55) NOS3NOS2MBOAT4ADRB2ALDH1A1
Hydrochloric Acid SCHEMBL29350381 0.73 NOS3 (0.55) NOS3NOS2MBOAT4ADRB2ALDH1A1
SCHEMBL10254409 0.72 ADRB2 (0.56) NOS3NOS2MBOAT4ADRB2ALDH1A1

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 NOS3 2906/4885NOS2 2388/4885MBOAT4 3292/4885

“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.