SCHEMBL2936216

SCHEMBL2936216

O=C(CCl)N(Cc1ccccc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.58
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PAX8 Q06710 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
AGER Q15109 3/20 0.52
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
MTNR1A P48039 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.48
CTSD P07339 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL23175993 0.92 AGER (0.63) OPRM1NPC1RAB9AALDH1A1PAX8
SCHEMBL22387506 0.85 SLC6A2 (0.51) OPRM1NPC1RAB9AALDH1A1PAX8
SCHEMBL3370759 0.84 AGER (0.55) OPRM1AGERCHRM2CHRM3MTNR1A
SCHEMBL23961060 0.83 ALDH1A1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL3373057 0.83 AGER (0.58) OPRM1AGERCHRM2CHRM3MTNR1A
SCHEMBL20857048 0.81 OPRM1 (0.56) OPRM1AGERCHRM2CHRM3LMNA
SCHEMBL17314169 0.79 SLC18A3 (0.57) OPRM1NPC1RAB9AALDH1A1PAX8
SCHEMBL23144528 0.79 SLC18A3 (0.54) OPRM1NPC1RAB9AALDH1A1PAX8
SCHEMBL17314167 0.79 SLC18A3 (0.57) OPRM1NPC1RAB9AALDH1A1PAX8
SCHEMBL17314168 0.79 SLC18A3 (0.57) OPRM1NPC1RAB9AALDH1A1PAX8

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 5 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
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN 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 OPRM1 1589/4885NPC1 4017/4885RAB9A 287/4885

“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.