SCHEMBL2934778

SCHEMBL2934778

CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C(CN(Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.43
REN P00797 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL2934779 1.00 NR1D1 (0.43) NR1D1RENMEN1KMT2AJAK2
SCHEMBL2940903 0.88 REN (0.44) NR1D1RENMEN1KMT2AJAK2
SCHEMBL2929146 0.88 REN (0.44) NR1D1RENMEN1KMT2AJAK2
SCHEMBL2940901 0.88 REN (0.44) NR1D1RENMEN1KMT2AJAK2
SCHEMBL2929143 0.88 REN (0.44) NR1D1RENMEN1KMT2AJAK2
SCHEMBL8263141 0.86 REN (0.42) NR1D1RENMEN1KMT2ANPC1
SCHEMBL2979028 0.86 REN (0.42) NR1D1RENMEN1KMT2ANPC1
SCHEMBL2979026 0.86 REN (0.42) NR1D1RENMEN1KMT2ANPC1
SCHEMBL2938369 0.85 REN (0.41) NR1D1RENMEN1KMT2AJAK2
SCHEMBL2938366 0.85 REN (0.41) NR1D1RENMEN1KMT2AJAK2

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 2 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

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 NR1D1 716/4885REN 1/4885MEN1 1437/4885

“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.