SCHEMBL2934073

SCHEMBL2934073

COc1ccccc1-c1cccc(CBr)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.72
CASR P41180 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
FFAR1 O14842 4/20 0.50
PTPN5 P54829 1/20 0.50
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 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
SCHEMBL2935282 0.87 HTR7 (0.56) HTR7CASRDRD2DRD4DRD3
SCHEMBL12806502 0.85 HTR7 (0.69) HTR7CASRDRD2DRD4DRD3
SCHEMBL2936489 0.84 HTR7 (0.52) HTR7DRD2DRD4DRD3PTPRC
SCHEMBL13434073 0.83 HTR7 (0.68) HTR7CASRDRD2DRD4DRD3
SCHEMBL5992125 0.83 HTR7 (0.68) HTR7CASRDRD2DRD4DRD3
SCHEMBL7504815 0.83 HTR7 (0.68) HTR7CASRDRD2DRD4DRD3
SCHEMBL3614087 0.83 HTR7 (0.51) HTR7CYP3A4CYP4F2CYP4A11HTR1A
SCHEMBL2936310 0.83 HDAC4 (0.56) HTR7CASRFFAR1CYP1A1CYP1A2
SCHEMBL2934919 0.83 HTR7 (0.51) HTR7CYP3A4CYP4F2CYP4A11HTR1A
SCHEMBL2935854 0.83 HTR7 (0.51) HTR7CASRHTR1A

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 HTR7 2860/4885CASR 4281/4885DRD2 1092/4885

“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.