SCHEMBL21883050

SCHEMBL21883050

c1ccc2c(c1)ncn2CC1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.72
LMNA P02545 3/20 0.72
NPSR1 Q6W5P4 2/20 0.72
TSHR P16473 1/20 0.72
ADRA2A P08913 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 5/20 0.54
TNF P01375 1/20 0.51
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CCR5 P51681 1/20 0.48
MAPK1 P28482 1/20 0.47
NAMPT P43490 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46

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
SCHEMBL12767959 0.98 HTT (0.75) HTTLMNANPSR1TSHRADRA2A
SCHEMBL16404602 0.93 HTT (0.62) HTTLMNANPSR1TSHRADRA2A
SCHEMBL4767798 0.86 HTT (0.55) HTTLMNANPSR1TSHRADRA2A
SCHEMBL2544813 0.84 LMNA (0.57) HTTLMNANPSR1TSHRADRA2A
SCHEMBL14314762 0.83 NPSR1 (0.56) HTTLMNANPSR1TSHRADRA2A
SCHEMBL13952314 0.83 TDP1 (0.61) HTTLMNANPSR1TSHRADRA2A
SCHEMBL31196392 0.81 EGLN3 (0.52) HTTLMNANPSR1TSHRTDP1
SCHEMBL14317163 0.81 NPSR1 (0.53) HTTLMNANPSR1TSHRADRA2A
SCHEMBL14318385 0.81 NPSR1 (0.53) HTTLMNANPSR1TSHRADRA2A
SCHEMBL17655990 0.81 NPSR1 (0.53) HTTLMNANPSR1TSHRADRA2A

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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 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 (2 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR HTT 1492/4885LMNA 4444/4885NPSR1 1977/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR HTT 1492/4885LMNA 4444/4885NPSR1 1977/4885

“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.