SCHEMBL534385

SCHEMBL534385

O=C(NC1CC1)c1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 1.00
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
TAS1R2 Q8TE23 2/20 0.59
ATM Q13315 1/20 0.55
KMT2A Q03164 2/20 0.54
HPGD P15428 4/20 0.54
PAK1 Q13153 1/20 0.53
TSHR P16473 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
JAK2 O60674 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL28583422 0.98 P2RX7 (0.97) P2RX7TAS1R3TAS1R1TAS1R2ATM
SCHEMBL27836535 0.90 P2RX7 (0.81) P2RX7TAS1R3TAS1R1TAS1R2ATM
SCHEMBL27570396 0.89 P2RX7 (0.80) P2RX7TAS1R3TAS1R1TAS1R2ATM
SCHEMBL12181561 0.86 P2RX7 (0.75) P2RX7KMT2AHPGDNPC1RAB9A
SCHEMBL4705927 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL1741628 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL738587 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL2353455 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL695642 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL738909 0.83 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP claimed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
WO-2006092268-A1 BICYCLIC FIVE-MEMBERED HETEROARYL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-08 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 P2RX7 1307/4885TAS1R3 3979/4885TAS1R1 4145/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 P2RX7 158/4885TAS1R3 1388/4885TAS1R1 1154/4885

“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.