SCHEMBL17308024

SCHEMBL17308024

CC(CNCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
AOC3 Q16853 2/20 0.61
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
BCHE P06276 2/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPA1 O75762 2/20 0.44
RIPK1 Q13546 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42

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
Hydrochloric Acid SCHEMBL15573475 0.98 TAAR1 (0.64) TAAR1AOC3GRIN1GRIN2ABCHE
SCHEMBL11046082 0.93 TAAR1 (0.68) TAAR1AOC3BCHEKDM4EL3MBTL1
SCHEMBL23374639 0.84 GRIN1 (0.55) TAAR1AOC3GRIN1GRIN2AKDM4E
SCHEMBL8278973 0.83 TAAR1 (0.61) TAAR1AOC3BCHEKDM4EL3MBTL1
SCHEMBL3430600 0.83 TAAR1 (0.61) TAAR1AOC3BCHEKDM4EL3MBTL1
SCHEMBL6665484 0.82 HTR2A (0.57) TAAR1AOC3GRIN1GRIN2AMEN1
SCHEMBL9061582 0.82 KDM4E (0.77) TAAR1AOC3KDM4EL3MBTL1KMT2A
SCHEMBL8976776 0.82 KDM4E (0.77) TAAR1AOC3KDM4EL3MBTL1KMT2A
SCHEMBL19381906 0.81 TAAR1 (0.59) TAAR1AOC3BCHEKDM4EL3MBTL1
SCHEMBL11179553 0.81 TAAR1 (0.59) TAAR1AOC3BCHEKDM4EL3MBTL1

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-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 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-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 TAAR1 2679/4885AOC3 3703/4885GRIN1 3600/4885

“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.