SCHEMBL2929155

SCHEMBL2929155

BrCc1cccc(-c2cccc(C3OC=CO3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC5A2 P31639 2/20 0.33
AGXT P21549 1/20 0.32
PRKCI P41743 1/20 0.31
HTR2C P28335 2/20 0.31
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL189832 0.90 TRPA1 (0.38) TRPA1ALDH1A1TSHR
SCHEMBL30987236 0.78 TRPA1 (0.52) CYP4F2CYP4A11BCHEACHETRPA1
SCHEMBL1259618 0.78 TRPA1 (0.52) CYP4F2CYP4A11BCHEACHETRPA1
SCHEMBL2655669 0.76 TDP1 (0.42) SLC5A2
SCHEMBL5725208 0.73 SLC5A2 (0.37) SLC5A2
SCHEMBL120295 0.72 ALDH1A1 (0.59) CYP4F2CYP4A11KDM1AMAOATRPA1
SCHEMBL50479 0.72 TSHR (0.38) TSHR
SCHEMBL8022584 0.70 ALDH1A1 (0.37) TRPA1ALDH1A1TSHRHTR2C
SCHEMBL5311927 0.70 TRPA1 (0.39) TRPA1ALDH1A1TSHR
SCHEMBL3357853 0.70 TRPA1 (0.56) CYP4F2CYP4A11KDM1AMAOATRPA1

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 4 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
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

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 CYP4F2 703/4885CYP4A11 297/4885BCHE 676/4885

“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.