SCHEMBL3025319

SCHEMBL3025319

N#Cc1cnc(NCC2CN(Cc3ccccc3)CC2c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
CHEK1 O14757 9/20 0.38
CCR5 P51681 4/20 0.38
CNR2 P34972 1/20 0.37
CHEK2 O96017 1/20 0.36
CHRM4 P08173 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3025622 0.84 ALDH1A1 (0.43) RORCCCR5CNR2DRD2DRD3
SCHEMBL3029711 0.83 DRD2 (0.40) RORCCCR5CNR2CHRM4DRD2
SCHEMBL28030659 0.83 CCR5 (0.42) RORCCCR5CNR2SIGMAR1
SCHEMBL3019414 0.80 TACR1 (0.39) RORCCCR5CNR2CHRM4
SCHEMBL3029997 0.80 CCR5 (0.44) RORCCCR5CNR2DRD2DRD3
SCHEMBL28030186 0.80 RORC (0.45) RORCCCR5CNR2SIGMAR1
SCHEMBL3029620 0.78 CCR5 (0.44) RORCCCR5CNR2DRD2DRD3
SCHEMBL2778394 0.78 CHEK1 (0.44) CHEK1CHEK2
SCHEMBL3019489 0.77 RORC (0.43) RORCCCR5CNR2CHRM4DRD2
SCHEMBL3030612 0.76 CCR5 (0.46) RORCCCR5DRD2DRD3SIGMAR1

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-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
CN-102307853-B As the pyrrolidin derivatives of NK3 receptor antagonist F. HOFFMANN-LA ROCHE AG (CH) 2015-09-02 CN 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 1018/4885CHEK1 2300/4885CCR5 1616/4885

“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.