SCHEMBL19781175

SCHEMBL19781175

CC(C)Oc1ccc(-n2ccc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PIM3 Q86V86 1/20 0.39
NPC1 O15118 1/20 0.39
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNA10 Q9GZZ6 3/20 0.38
CHRNA9 Q9UGM1 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL19781161 0.85 PIM3 (0.46) PIM3PTGESCA12CA9
SCHEMBL19781509 0.81 GABRP (0.52) PTGS2CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL19781141 0.80 LRRK2 (0.44) PIM3
SCHEMBL21449914 0.77 GRM1 (0.40) PTGS2NPC1CHRNB4CHRNA3CHRNA7
SCHEMBL19781510 0.76 GABRP (0.56) PTGS2NPC1CHRNB4CHRNA3CHRNA7
SCHEMBL21449942 0.75 GABRP (0.49) CHRNA7GABRPGABRDGABRA1GABRB1
SCHEMBL19781619 0.74 CDC7 (0.41) PIM3
SCHEMBL21449929 0.73 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3025365 0.72 MAOA (0.55) PTGS2NPC1MAPTMAOA
SCHEMBL21449952 0.72 GABRP (0.43) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-09-08 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO 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 (3 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-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION C9, C1S, ZC3HAV1 PTGS2 3387/4885PIM3 391/4885NPC1 162/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S PTGS2 3256/4885PIM3 424/4885NPC1 182/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S PTGS2 3256/4885PIM3 424/4885NPC1 182/4885

“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.