SCHEMBL9973462

SCHEMBL9973462

C#C[C@@H](N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ HTR2A P28223 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1036595 1.00 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL4797236 0.97 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL21263995 0.75 CHRNA7 (0.39) LMNAALDH1A1
SCHEMBL26033140 0.75 HTT (0.40) LMNAHIF1AKDM4EALDH1A1
SCHEMBL28185990 0.75 ADRB2 (0.50) ADRA2ALMNAHIF1AKDM4E
SCHEMBL23244675 0.75 PYCR1 (0.40) DPP4HTR2AALDH1A1
SCHEMBL28185987 0.75 IDO1 (0.43) LMNAALDH1A1
SCHEMBL1036920 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1036918 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL10404165 0.74 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 — — US disclosed
US-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 — — US disclosed
US-7960372-B2 Inhibitors of apoptosis proteins; antiproliferative agents; kits THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-14 — — US disclosed
US-7960372-B2 Inhibitors of apoptosis proteins; antiproliferative agents; kits THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-14 — — US disclosed
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 — — US disclosed
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 — — US disclosed
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 — — US disclosed
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 — — 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-20080089896-A1 Bivalent SMAC mimetics and the uses thereof BID, BAD, BIRC2 DPP4 4162/4885F2 3744/4885HTR2A 4344/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 DPP4 4162/4885F2 3744/4885HTR2A 4344/4885

“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.

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