SCHEMBL2785508

SCHEMBL2785508

[c]1cnccc1-c1[c]cncc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNA1 Q09470 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 1/20 0.30
DDAH1 O94760 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL2339291 0.80 NOTUM (0.48) LMNAMAPTKMT2AALDH1A1MAPK1
SCHEMBL18228687 0.78 ATM (0.43) LMNAMAPTALDH1A1
SCHEMBL7397076 0.77 MAPK14 (0.41)
SCHEMBL4600920 0.77 GCGR (0.42) LMNAALDH1A1SMN1; SMN2
SCHEMBL27783565 0.75 GAA (0.39)
SCHEMBL27958531 0.73 NPC1 (0.39) MAPTMEN1KMT2AALDH1A1
SCHEMBL14840350 0.73
SCHEMBL27473801 0.73 NPC1 (0.39) LMNAALDH1A1CYP2D6MAPK1SMN1; SMN2
SCHEMBL4461211 0.73
SCHEMBL29045051 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759524-B2 Production process of optically active 3-quinuclidinol derivative NIPPON SODA CO., LTD. (JP) 2014-06-24 US disclosed
US-20130225824-A1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE NIPPON SODA CO., LTD. (JP) 2013-08-29 US disclosed
EP-2186812-B1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE NIPPON SODA CO (JP) 2013-07-03 EP disclosed
US-8436181-B2 Production process of optically active 3-quinuclidinol derivative NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-20100174081-A1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2010-07-08 US disclosed
EP-2186812-A1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE National University Corporation Hokkaido University (JP) 2010-05-19 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 (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-20130225824-A1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE GRK7, NR2E3, GRK1 LMNA 3080/4885MAPT 4844/4885MEN1 4122/4885
US-20100174081-A1 PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE GRK7, NR2E3, GRK1 LMNA 3080/4885MAPT 4844/4885MEN1 4122/4885

“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.