SCHEMBL12697804

SCHEMBL12697804

CN1CCN(C2CCCC2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.43
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25045333 0.92 PDE7A (0.40) PDE7AHSD17B10ADORA2A
SCHEMBL8341378 0.88 PARP2 (0.42) PDE7ALMNAALDH1A1TP53MAPT
SCHEMBL14490260 0.85 PKM (0.39) PDE7ALMNATP53ADORA2A
SCHEMBL2855878 0.83 TP53 (0.40) PDE7ATP53
SCHEMBL852749 0.83 MAPK1 (0.40) PDE7AMAPK1
SCHEMBL852748 0.83 MAPK1 (0.40) PDE7AMAPK1
SCHEMBL14900009 0.82 CHRM2 (0.38) PDE7A
Hydrochloric Acid SCHEMBL27993842 0.82 MAPK1 (0.39) PDE7AMAPK1
SCHEMBL15919806 0.81 LMNA (0.36) PDE7ALMNAALDH1A1TP53MAPT
SCHEMBL14826661 0.81 LMNA (0.36) PDE7ALMNAALDH1A1TP53MAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2019-10-10 US disclosed
US-20190135857-A1 TRITERPENOID INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-9969767-B2 Oxolupene derivatives VIIV Healthcare UK (No.5) Limited (GB) 2018-05-15 US disclosed
US-9969767-B2 Oxolupene derivatives VIIV Healthcare UK (No.5) Limited (GB) 2018-05-15 US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 US disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 US disclosed
WO-2014130810-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 WO disclosed
WO-2014123889-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 WO disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 US disclosed
WO-2013123019-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
WO-2012106190-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 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 (8 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-20190135857-A1 TRITERPENOID INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, LSS, CCNI PDE7A 1908/4885LMNA 3402/4885ALDH1A1 3029/4885
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES BET1, TMPO, PGGT1B PDE7A 3079/4885LMNA 1045/4885ALDH1A1 1992/4885
US-20170334946-A1 OXOLUPENE DERIVATIVES BET1, CYP51A1, PGGT1B PDE7A 2633/4885LMNA 3554/4885ALDH1A1 1759/4885
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, TYMP, TYMS PDE7A 318/4885LMNA 4074/4885ALDH1A1 1637/4885
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CDK17 PDE7A 753/4885LMNA 2166/4885ALDH1A1 1833/4885
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CYP4A22 PDE7A 1172/4885LMNA 2635/4885ALDH1A1 2002/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 PDE7A 648/4885LMNA 2154/4885ALDH1A1 2193/4885
US-20130210787-A1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, ZC3HAV1, CYP8B1 PDE7A 1500/4885LMNA 1522/4885ALDH1A1 2192/4885

“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.