SCHEMBL2934724

SCHEMBL2934724

O=C(CCl)N(Cc1ccccc1)CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PKM P14618 2/20 0.52
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
LPAR1 Q92633 3/20 0.46
LPAR5 Q9H1C0 3/20 0.46
KCNA5 P22460 1/20 0.46
REN P00797 1/20 0.44

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
SCHEMBL3372477 0.85 HDAC1 (0.58) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL5451636 0.83 NPC1 (0.67) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL21400325 0.81 HDAC1 (0.55) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL5722086 0.79 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL5722085 0.79 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL393116 0.78 HDAC1 (0.52) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL5030087 0.78 HDAC1 (0.52) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL13434154 0.78 LMNA (0.52) MEN1KMT2AHDAC1HDAC6PKM
SCHEMBL4089947 0.78 NPC1 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8773484 0.78 HDAC1 (0.61) NPC1RAB9AMEN1KMT2AHDAC1

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 NPC1 4017/4885RAB9A 287/4885MEN1 1437/4885

“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.