SCHEMBL6069708

SCHEMBL6069708

CC1CCC2C(=O)Nc3cc(NCc4cccc(Cl)c4)ccc3C12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
MAOB P27338 2/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
HTT P42858 1/20 0.37
HTR6 P50406 1/20 0.37
PGR P06401 2/20 0.36
ADORA1 P30542 1/20 0.36
PDE9A O76083 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
P2RX7 Q99572 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP4 P15090 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL6069719 0.88 NTRK1 (0.40) NTRK1MAOBCCNT1CDK9HTT
SCHEMBL6561440 0.76 NOS2 (0.53) MAOBCCNT1CDK9HTTHTR6
SCHEMBL6069245 0.70 NOS3 (0.55) HTTNOS3NOS1NOS2MAPT
SCHEMBL6069590 0.67 NOS3 (0.42) HTTPGRADORA1NOS3NOS1
SCHEMBL6069594 0.66 NOS3 (0.59) HTTNOS3NOS1NOS2
SCHEMBL6700054 0.66 CHRM2 (0.55) MAOBHTR6MEN1MAPTKMT2A
SCHEMBL632217 0.66 CHRM2 (0.55) MAOBHTR6MEN1MAPTKMT2A
SCHEMBL6069738 0.65 NOS3 (0.39) HTTPGRADORA1PDE9ANOS3
SCHEMBL6069480 0.65 NOS3 (0.39) HTTPGRADORA1NOS3NOS1
SCHEMBL79505 0.65 HTT (0.47) MAOBHTT

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 2 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

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 NTRK1 4279/4885MAOB 311/4885CCNT1 4218/4885

“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.