SCHEMBL2244070

SCHEMBL2244070

Cc1ccnc(N2CCN[C@@H](C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.49
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ ACVR1 Q04771 1/20 0.46
▸ PRKCQ Q04759 3/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ CCR1 P32246 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ CCR8 P51685 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ KHK P50053 1/20 0.41

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
SCHEMBL14186225 1.00 NMT1 (0.49) NMT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8271848 1.00 NMT1 (0.49) NMT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20905651 0.84 NMT1 (0.46) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL31045816 0.84 ACVR1 (0.48) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL31658404 0.84 NMT1 (0.48) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL14186226 0.83 PRKCQ (0.50) NMT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14186227 0.83 NMT1 (0.52) NMT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2244335 0.80 ADRB1 (0.66) NMT1ACVR1PRKCQPRKCDKARS1
SCHEMBL1026043 0.79 ADRB1 (0.59) NMT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30230278 0.79 ADRB1 (0.59) NMT1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US claimed
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 — — US disclosed
WO-2020182666-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-09-17 — — WO disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 — — EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 — — 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD NMT1 46/4885GRIN2D 4498/4885GRIN3B 4150/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD NMT1 59/4885GRIN2D 4459/4885GRIN3B 4162/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 NMT1 2796/4885GRIN2D 4763/4885GRIN3B 4396/4885

“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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