SCHEMBL24075174

SCHEMBL24075174

C/C(=C(/C#N)C(=O)NCCOI)c1ccc2cc(N3CCN(C)CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTR3A P46098 1/20 0.38
HTR1A P08908 5/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABL1 P00519 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL18219989 0.92 APP (0.49) APPNPC1RAB9AHTR3AHTR1A
SCHEMBL20306932 0.90 APP (0.43) APPNPC1RAB9AHTR3AHTR1A
SCHEMBL24988516 0.84 APP (0.41) APPNPC1RAB9AHTR1ASLC6A2
SCHEMBL18219999 0.83 APP (0.48) APPNPC1RAB9AMAPTHPGD
SCHEMBL17120882 0.81 NPC1 (0.40) APPNPC1RAB9AHTR3AHTR1A
SCHEMBL18220035 0.81 NPC1 (0.40) APPNPC1RAB9AHTR3AHTR1A
SCHEMBL18220000 0.81 APP (0.49) APPMAPTHPGDTSHRHSD17B10
SCHEMBL21226374 0.81 APP (0.43) APPNPC1RAB9AMAPTHPGD
SCHEMBL18220010 0.81 PRKD1 (0.46) NPC1RAB9AMAPTHPGDTSHR
SCHEMBL24988513 0.81 APP (0.42) APPNPC1RAB9AHTR1AMAPT

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-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY Amydis, Inc. 2021-12-02 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-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY S100B, FABP7, CRYAB APP 4/4885NPC1 822/4885RAB9A 998/4885

“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.