SCHEMBL2074431

SCHEMBL2074431

COC(=O)C1(N)CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.50
MAOA P21397 13/20 0.50
MAOB P27338 13/20 0.50
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.42

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
SCHEMBL2074430 1.00 KDM1A (0.50) KDM1AMAOAMAOBMAPTPOLB
Hydrochloric Acid SCHEMBL2130468 0.98 KDM1A (0.51) KDM1AMAOAMAOBMAPT
Hydrochloric Acid SCHEMBL2131519 0.98 KDM1A (0.51) KDM1AMAOAMAOBMAPT
SCHEMBL8036140 0.84 KDM1A (0.46) KDM1A
SCHEMBL12383191 0.84 KDM1A (0.46) KDM1A
SCHEMBL8039426 0.84 KDM1A (0.46) KDM1A
SCHEMBL903428 0.83 GAA (0.53) KDM1AMAOAMAOB
SCHEMBL15767768 0.83 GAA (0.53) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL2072193 0.83 KDM1A (0.49) KDM1A
Hydrochloric Acid SCHEMBL2072194 0.83 KDM1A (0.49) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R KDM1A 2795/4885MAOA 1604/4885MAOB 369/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R KDM1A 2795/4885MAOA 1604/4885MAOB 369/4885

“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.