SCHEMBL3025370

SCHEMBL3025370

CNCC1CN(Cc2ccccc2)CC1c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.54
CCR5 P51681 6/20 0.49
HTR2C P28335 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 1/20 0.40
GBA1 P04062 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
SCHEMBL7885806 1.00 RORC (0.54) RORCCCR5HTR2CDRD2DRD3
SCHEMBL7878986 0.91 CCR5 (0.58) RORCCCR5HTR2CKDM1AGBA1
SCHEMBL7889957 0.88 RORC (0.55) RORCCCR5HTR2CDRD2DRD3
SCHEMBL3035472 0.88 RORC (0.55) RORCCCR5HTR2CDRD2DRD3
SCHEMBL3035470 0.88 RORC (0.55) RORCCCR5HTR2CDRD2DRD3
SCHEMBL2820735 0.83 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL1976472 0.83 RORC (0.58) RORCCCR5HTR2CDRD2DRD3
SCHEMBL2820737 0.83 RORC (0.58) RORCCCR5DRD2DRD3BCHE
SCHEMBL1202337 0.83 RORC (0.58) RORCCCR5HTR2CDRD2DRD3
SCHEMBL2226943 0.83 RORC (0.58) RORCCCR5HTR2CDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (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-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 1018/4885CCR5 1616/4885HTR2C 134/4885

“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.