SCHEMBL13712974

SCHEMBL13712974

CC(C)c1ccccc1N1CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
P2RX7 Q99572 4/20 0.46
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
USP1 O94782 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GFER P55789 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
SCHEMBL12545906 0.95 ALOX15 (0.49) ALOX15FAAHMGLLP2RX7HSD17B10
SCHEMBL2737228 0.80 HSD17B10 (0.48) HSD17B10TP53CYP2C9
SCHEMBL22997585 0.77 HSD17B10 (0.44) MGLLHSD17B10TP53CYP1A2CYP2D6
SCHEMBL1901693 0.77 DDB1 (0.56) P2RX7HSD17B10CYP2C9
SCHEMBL27955985 0.77 TP53 (0.42) HSD17B10TP53ALOX5APFEN1GFER
SCHEMBL19327260 0.76 ADRA1A (0.49)
SCHEMBL3659273 0.76 ALOX15 (0.47) ALOX15FAAHMGLLP2RX7
SCHEMBL5387298 0.76 PARP14 (0.39) HSD17B10TP53CYP1A2CYP2D6CYP2C9
SCHEMBL85903 0.76 ALOX5 (0.55) MGLLHSD17B10TP53GFER
SCHEMBL7787664 0.75 HSD17B10 (0.53) MGLLHSD17B10TP53CYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A ALOX15 1320/4885FAAH 78/4885MGLL 3146/4885

“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.