SCHEMBL2693246

SCHEMBL2693246

CC(N)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ DGAT1 O75907 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN10A Q9Y5Y9 5/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TYR P14679 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
SCHEMBL2693049 0.84 KMT2A (0.39) PDE2ACACNA1IRAB9ASCN10AKIF11
SCHEMBL855236 0.83 CACNA1I (0.38) CACNA1IDGAT1ALOX5APRAB9AKDM4E
SCHEMBL9987929 0.82 KMT2A (0.44) PDE2AKDM4EPOLBTSHRKIF11
SCHEMBL22630752 0.82 KMT2A (0.44) PDE2AKDM4EPOLBTSHRKIF11
SCHEMBL3074268 0.82 KMT2A (0.44) PDE2AKDM4EPOLBTSHRKIF11
SCHEMBL23122207 0.82 KMT2A (0.44) PDE2AKDM4EPOLBTSHRKIF11
Hydrochloric Acid SCHEMBL30615195 0.81 KMT2A (0.43) PDE2AKDM4EPOLBTSHRKIF11
Hydrochloric Acid SCHEMBL29106444 0.81 KMT2A (0.43) PDE2AKDM4EPOLBTSHRKIF11
Hydrochloric Acid SCHEMBL29106441 0.81 KMT2A (0.43) PDE2AKDM4EPOLBTSHRKIF11
Hydrochloric Acid SCHEMBL30049359 0.81 KMT2A (0.43) PDE2AKDM4EPOLBTSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP disclosed
CN-101389610-B Novel benzimidazole derivatives as vanilloid receptor 1 (vrl) inhibitors ASTRAZENECA AB (SE) 2011-12-07 — — CN disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 — — US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 — — US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 — — US disclosed
CN-101389610-A Novel benzimidazole derivatives as vanilloid receptor 1 (vrl) inhibitors ASTRAZENECA AB (SE) 2009-03-18 — — CN disclosed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 — — 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 (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-20100286202-A1 New Compounds REN, PCSK9, FURIN PDE2A 1120/4885CACNA1I 1281/4885DGAT1 863/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 PDE2A 1313/4885CACNA1I 1129/4885DGAT1 655/4885

“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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