SCHEMBL2937018

SCHEMBL2937018

O=C(O)NCc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.51
NSD2 O96028 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
FAAH O00519 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TACR1 P25103 5/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL13035844 0.85 L3MBTL1 (0.52) CYP1A2LOXL2NSD2ATG4BADORA2A
SCHEMBL2844641 0.81 CYP1A2 (0.49) CYP1A2LOXL2NSD2FAAHHTR1A
SCHEMBL2846544 0.80 CYP1A2 (0.48) CYP1A2LOXL2NSD2FAAHHTR1A
SCHEMBL5547180 0.79 SMN1; SMN2 (0.49) CYP1A2LOXL2NSD2ATG4BADORA2A
SCHEMBL2841416 0.79 HTR1A (0.49) CYP1A2LOXL2NSD2FAAHHTR1A
SCHEMBL5550374 0.79 LOXL2 (0.58) CYP1A2LOXL2NSD2ATG4BADORA2A
SCHEMBL5456634 0.77 CYP1A2 (0.67) CYP1A2LOXL2NSD2FAAHSMN1; SMN2
SCHEMBL5176476 0.77 CYP1A2 (0.48) CYP1A2LOXL2NSD2ATG4BADORA2A
SCHEMBL3727895 0.77 CYP1A2 (0.48) CYP1A2LOXL2NSD2ATG4BADORA2A
SCHEMBL3727892 0.77 CYP1A2 (0.48) CYP1A2LOXL2NSD2ATG4BADORA2A

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (1 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD CYP1A2 641/4885LOXL2 3981/4885NSD2 4486/4885

“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.