SCHEMBL2937484

SCHEMBL2937484

COc1cc(COCCN)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
CYP19A1 P11511 1/20 0.43
TACR1 P25103 2/20 0.42
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOB P27338 2/20 0.38
ABCB1 P08183 1/20 0.37
CYP1A2 P05177 1/20 0.37
CALM1 P0DP23 1/20 0.37

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
SCHEMBL15023472 0.88 IDO1 (0.40) TAAR1CYP19A1TACR1IDO1AGXT
SCHEMBL14668896 0.87 TDP1 (0.43) ALDH1A1TAAR1CYP19A1TACR1IDO1
SCHEMBL7555496 0.86 TACR1 (0.37) TAAR1CYP19A1TACR1IDO1AGXT
SCHEMBL7889540 0.83 ALDH1A1 (0.58) ALDH1A1CYP19A1TACR1IDO1AGXT
SCHEMBL7545303 0.80 CYP11B1 (0.40) TAAR1GRIN1GRIN2BMAOBCYP1A2
SCHEMBL10373698 0.80 IDO1 (0.32) TAAR1IDO1
SCHEMBL11243873 0.80 IDO1 (0.59) TAAR1IDO1AGXTMAOB
Hydrochloric Acid SCHEMBL9370865 0.78 KDM4E (0.36) TAAR1IDO1
SCHEMBL15532301 0.77 APP (0.57) TAAR1IDO1AGXTMAOB
SCHEMBL16321948 0.77 APP (0.57) TAAR1IDO1AGXTMAOB

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 ALDH1A1 494/4885TAAR1 1451/4885CYP19A1 1184/4885

“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.