SCHEMBL1985308

SCHEMBL1985308

NCC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.55
CCR5 P51681 4/20 0.50
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
DRD4 P21917 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GBA1 P04062 1/20 0.41
DPP4 P27487 1/20 0.41
FUCA1 P04066 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
SCHEMBL2017141 1.00 RORC (0.55) RORCCCR5DRD2DRD3DRD4
SCHEMBL1202337 0.89 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL1976472 0.89 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL2226943 0.89 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL3650757 0.87 RORC (0.55) RORCCCR5DRD2DRD3DRD4
SCHEMBL2820735 0.84 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL2820737 0.84 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL4203694 0.82 RORC (0.50) RORCCCR5DRD2DRD3SLC6A2
SCHEMBL1203616 0.81 DPP4 (0.54) RORCCCR5DRD2DRD3DRD4
SCHEMBL1203614 0.81 DPP4 (0.54) RORCCCR5DRD2DRD3DRD4

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
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (2 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-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 RORC 1442/4885CCR5 1514/4885DRD2 9/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 RORC 1442/4885CCR5 1514/4885DRD2 9/4885

“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.