SCHEMBL842552

SCHEMBL842552

Cc1ccc(N(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
APP P05067 3/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
MAP3K11 Q16584 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
METAP2 P50579 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL13466384 0.84 CCR1 (0.52) CCR1CCR5CCR8HDAC6APP
SCHEMBL1193460 0.83 HDAC6 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL19187780 0.82 MAP3K11 (0.47) HDAC6APPALDH1A1TSHRMAP3K11
SCHEMBL20824742 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24853562 0.80 PDE10A (0.38) CCR1CCR5CCR8HDAC6KCNH2
SCHEMBL14236963 0.78 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL14306331 0.78 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL13149488 0.78 HDAC6 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL8278724 0.78 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17081152 0.78 KCNH2 (0.59) APPKCNH2MAPTRAB9AMEN1

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 393 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN claimed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP claimed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO claimed
US-5463065-A Process for the preparation of 2-amino-5-methyl-pyridine BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
EP-0569701-B1 Process for preparation of 2-amino-5-methyl-pyridine BAYER AG (DE) 2000-09-27 EP disclosed
US-5463065-A Process for the preparation of 2-amino-5-methyl-pyridine BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-5332824-A Process for the preparation of 2-amino-5-methyl-pyridine BAYER AKTIENGESELLSCHAFT (DE) 1994-07-26 US disclosed
EP-0569701-A1 Process for preparation of 2-amino-5-methyl-pyridine BAYER AG (DE) 1993-11-18 EP 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 (5 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 CCR1 644/4885CCR5 1324/4885CCR8 782/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CCR1 4489/4885CCR5 4322/4885CCR8 4175/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CCR1 4489/4885CCR5 4322/4885CCR8 4175/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CCR1 692/4885CCR5 1684/4885CCR8 2412/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CCR1 2622/4885CCR5 2983/4885CCR8 2182/4885

“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.