SCHEMBL2933072

SCHEMBL2933072

COCCCn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.67
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CCR2 P41597 4/20 0.57
CNR2 P34972 4/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
DAO P14920 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL1422338 0.96 MCL1 (0.62) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL29750342 0.92 ALDH1A1 (0.64) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL7894118 0.92 ALDH1A1 (0.64) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL13701158 0.87 CCR2 (0.69) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL25145112 0.86 MTNR1A (0.53) MCL1ALDH1A1CYP1A2POLBCNR2
SCHEMBL6754206 0.86 ALDH1A1 (0.59) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL29463267 0.84 KDM4E (0.65) MCL1CNR2MTNR1AMTNR1B
SCHEMBL10757133 0.84 ALDH1A1 (0.66) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL6682164 0.83 ALDH1A1 (0.64) MCL1ALDH1A1CYP1A2POLBCCR2
SCHEMBL2480710 0.83 ALDH1A1 (0.57) MCL1ALDH1A1CYP1A2POLBCCR2

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 claimed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US claimed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP claimed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO claimed
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 MCL1 4652/4885ALDH1A1 494/4885CYP1A2 641/4885

“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.