SCHEMBL2389205

SCHEMBL2389205

CN(C)[C@@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GABRR1 P24046 2/20 0.37
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34

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
SCHEMBL10046703 1.00 ACE (0.39) ACEAKR1C3AKR1C1GABRR1PLG
SCHEMBL31731986 1.00 ACE (0.39) ACEAKR1C3AKR1C1GABRR1PLG
SCHEMBL22967525 1.00 ACE (0.39) ACEAKR1C3AKR1C1GABRR1PLG
SCHEMBL7658314 0.89 BTK (0.42) ACEAKR1C3AKR1C1GABRR1LMNA
SCHEMBL14931419 0.86 LMNA (0.43) ACEAKR1C3AKR1C1GABRR1PLG
SCHEMBL5065495 0.86 LMNA (0.43) ACEAKR1C3AKR1C1GABRR1PLG
SCHEMBL4008610 0.86 LMNA (0.43) ACEAKR1C3AKR1C1GABRR1PLG
Hydrochloric Acid SCHEMBL2944287 0.84 LMNA (0.41) ACEGABRR1PLGPLATLMNA
Hydrochloric Acid SCHEMBL2944285 0.84 LMNA (0.41) ACEGABRR1PLGPLATLMNA
SCHEMBL24161967 0.83 APLNR (0.39) GABRR1LMNAGABRPGABRDGABRA1

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
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP claimed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 ACE 3088/4885AKR1C3 1212/4885AKR1C1 1247/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 ACE 3088/4885AKR1C3 1212/4885AKR1C1 1247/4885

“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.