SCHEMBL419234

SCHEMBL419234

O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.64
S1PR5 Q9H228 3/20 0.55
S1PR1 P21453 1/20 0.55
F10 P00742 2/20 0.50
FUCA1 P04066 2/20 0.50
CCR5 P51681 1/20 0.50
KDM1A O60341 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL1752470 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL14371541 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL1752417 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL12303485 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL8484105 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL1751711 1.00 RORC (0.64) RORCS1PR5S1PR1F10FUCA1
SCHEMBL2226168 0.91 RORC (0.62) RORCS1PR5S1PR1
SCHEMBL1976054 0.91 RORC (0.62) RORCS1PR5S1PR1
SCHEMBL2778415 0.91 RORC (0.62) RORCS1PR5S1PR1
SCHEMBL8210627 0.91 RORC (0.62) RORCS1PR5S1PR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420487-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-01-26 US disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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 (3 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 RORC 928/4885S1PR5 3915/4885S1PR1 3760/4885
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND PPOX, CBR3, ALDH18A1 RORC 666/4885S1PR5 2532/4885S1PR1 3158/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 517/4885S1PR5 1603/4885S1PR1 1154/4885

“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.