SCHEMBL11962828

SCHEMBL11962828

Cc1cnn2c(C)ccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ HTT P42858 1/20 0.59
▸ HSD11B1 P28845 2/20 0.38
▸ PDE4B Q07343 2/20 0.36
▸ HTR6 P50406 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP17A1 P05093 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32

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
SCHEMBL13990648 0.80 AXL (0.43) KDM4EHTTHSD11B1HTR6KMT2A
SCHEMBL7455976 0.80 SMPD3 (0.43) KDM4EHTTHSD11B1HTR6ALDH1A1
SCHEMBL13153941 0.80 KDM4E (0.56) KDM4EHTTPDE4BALDH1A1L3MBTL1
SCHEMBL23104339 0.80 KDM4E (0.56) KDM4EHTTPDE4BALDH1A1L3MBTL1
SCHEMBL32686016 0.80 KDM4E (0.56) KDM4EHTTPDE4BALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL462160 0.79 SMPD3 (0.42) KDM4EHTTHSD11B1HTR6ALDH1A1
SCHEMBL18819891 0.77 KDM4E (0.53) KDM4EHTTHSD11B1PDE4BL3MBTL1
SCHEMBL23132773 0.77 KDM4E (0.53) KDM4EHTTPDE4BALDH1A1L3MBTL1
SCHEMBL24654980 0.77 KDM4E (0.38) KDM4EHTTHSD11B1HTR6ALDH1A1
SCHEMBL21893828 0.77 KDM4E (0.38) KDM4EHTTHSD11B1PDE4BHTR6

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 — — WO disclosed
WO-2022133303-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-23 — — WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 — — WO disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 — — US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — 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 (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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HTT 370/4885HSD11B1 4722/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HTT 370/4885HSD11B1 4722/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885HTT 3293/4885HSD11B1 286/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HTT 370/4885HSD11B1 4722/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2892/4885HTT 1298/4885HSD11B1 880/4885

“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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