SCHEMBL2930728

SCHEMBL2930728

CC(C)NCC1CN(Cc2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.49
▸ HTR2C P28335 1/20 0.47
▸ GBA1 P04062 1/20 0.43
▸ FUCA1 P04066 2/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL2930730 1.00 RORC (0.49) RORCHTR2CGBA1FUCA1CCR3
SCHEMBL3371156 0.87 GBA1 (0.56) HTR2CGBA1FUCA1
SCHEMBL3371158 0.87 GBA1 (0.56) HTR2CGBA1FUCA1
SCHEMBL13105230 0.87 GBA1 (0.56) HTR2CGBA1FUCA1
SCHEMBL14278240 0.81 RORC (0.52) RORCGBA1FUCA1CCR3KDM4E
SCHEMBL2935936 0.79 RORC (0.51) RORCGBA1FUCA1CCR3ACHE
SCHEMBL2937257 0.79 RORC (0.51) RORCGBA1FUCA1CCR3ACHE
SCHEMBL2935937 0.79 RORC (0.51) RORCGBA1FUCA1CCR3ACHE
SCHEMBL14302242 0.75 RORC (0.56) RORCGBA1FUCA1CCR3ACHE
SCHEMBL2937648 0.75 RORC (0.44) RORCGBA1ACHE

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 RORC 1425/4885HTR2C 2367/4885GBA1 1130/4885

“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.

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