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SCHEMBL13166754

SCHEMBL13166754

CN(CCN(Cc1cccc(Br)c1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.52
▸ PTGES O14684 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ PYCR1 P32322 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 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
SCHEMBL6508147 0.88 RIPK1 (0.51) RIPK1PTGESTAAR1SSTR4CTSB
SCHEMBL14012666 0.88 HSP90AA1 (0.42) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL2176070 0.87 RIPK1 (0.63) RIPK1PTGESTAAR1CTSBCTSS
SCHEMBL4563918 0.86 HDAC1 (0.40) RIPK1PTGESSSTR4HDAC1HDAC3
SCHEMBL3567836 0.85 RIPK1 (0.46) RIPK1PTGESTAAR1SSTR4CTSB
SCHEMBL24387236 0.85 RIPK1 (0.53) RIPK1PTGESCTSBCTSSCTSK
SCHEMBL3012881 0.85 TAAR1 (0.55) RIPK1TAAR1CTSBCTSSCTSK
SCHEMBL19642921 0.82 RIPK1 (0.48) RIPK1PTGESSSTR4CTSBCTSS
SCHEMBL862057 0.81 PTGES (0.48) RIPK1PTGESCTSBCTSSCTSK
SCHEMBL23420055 0.81 L3MBTL1 (0.46) RIPK1TAAR1CTSBCTSSCTSK

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
WO-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 — — WO disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 — — US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 — — US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 — — US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 — — 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-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 RIPK1 1154/4885PTGES 2811/4885TAAR1 2937/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 RIPK1 1084/4885PTGES 2733/4885TAAR1 3042/4885

“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.