SCHEMBL10308668

SCHEMBL10308668

CC(C)(C)P(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
SLC6A2 P23975 3/20 0.46
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRMT1 Q99873 1/20 0.39
LMNA P02545 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL706086 0.76 TAAR1 (0.44) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL11236089 0.76 TAAR1 (0.44) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL16687835 0.73 LOXL2 (0.43) TAAR1SLC6A2CYP2D6LOXL2TP53
SCHEMBL15285550 0.73 TAAR1 (0.41) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL25533379 0.72 LOXL2 (0.48) TAAR1SLC6A2CYP3A4LOXL2TP53
Bromide SCHEMBL6698777 0.71 TAAR1 (0.40) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL29033707 0.71 TAAR1 (0.42) TAAR1SLC6A2CYP2D6LMNATP53
Bromide SCHEMBL6698393 0.71 TAAR1 (0.40) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL9883765 0.71 TAAR1 (0.40) TAAR1SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28077821 0.70 LOXL2 (0.46) TAAR1CYP3A4LOXL2TP53ALDH1A1

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-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 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-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ALPP, ALPI, PHOSPHO1 TAAR1 4398/4885SLC6A2 1228/4885CYP2D6 1201/4885

“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.