SCHEMBL686541

SCHEMBL686541

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.52
LTB4R2 Q9NPC1 10/20 0.48
ABCB11 O95342 1/20 0.42
GP6 Q9HCN6 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3121283 0.85 AGTR1 (0.42) AGTR1LTB4R2HDAC1HDAC6
SCHEMBL2118 0.84 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6HDAC1
SCHEMBL2382 0.84 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
SCHEMBL2381 0.84 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
SCHEMBL2789 0.83 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6HDAC1
SCHEMBL10033 0.83 AGTR1 (0.70) AGTR1LTB4R2ABCB11GP6
SCHEMBL3138 0.83 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL1511 0.83 AGTR1 (0.75) AGTR1LTB4R2ABCB11GP6HDAC1
SCHEMBL1512 0.83 AGTR1 (0.75) AGTR1LTB4R2ABCB11GP6HDAC1
SCHEMBL2969136 0.83 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885LTB4R2 254/4885ABCB11 4566/4885

“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.