SCHEMBL6070003

SCHEMBL6070003

CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1)C1CCc2cc3c(cc21)NC(=S)C1CCCC31

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.34
LMNA P02545 1/20 0.33
GHSR Q92847 3/20 0.32
RIPK1 Q13546 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
PABPC1 P11940 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
SLC6A9 P48067 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
STS P08842 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL6069609 0.91 TACR1 (0.34) TACR1LMNAGHSRRIPK1TRPM8
SCHEMBL6069793 0.82 GHSR (0.39) TACR1GHSRRIPK1ALDH1A1GAA
SCHEMBL6069425 0.81 NOS3 (0.46) TRPM8SLC6A9KCNH2SLC6A5
SCHEMBL6069731 0.79 GHSR (0.36) TACR1GHSRRIPK1ALDH1A1GAA
SCHEMBL6069723 0.78 GHSR (0.37) TACR1GHSRRIPK1
SCHEMBL6069733 0.78 GHSR (0.35) TACR1GHSRRIPK1ALDH1A1GAA
SCHEMBL6069720 0.78 GHSR (0.36) TACR1GHSRRIPK1TRPM8ALDH1A1
SCHEMBL6069534 0.77 RIPK1 (0.34) TACR1GHSRRIPK1TRPM8ALDH1A1
SCHEMBL6069728 0.72 GHSR (0.40) TACR1GHSRRIPK1ALDH1A1GAA
SCHEMBL6069638 0.70 GHSR (0.36) TACR1GHSRRIPK1PABPC1ALDH1A1

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
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP 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-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 TACR1 3149/4885LMNA 3738/4885GHSR 4522/4885

“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.