SCHEMBL632371

SCHEMBL632371

COc1cc(CN(C)C(=O)C(CCN2CCC3(CC2)OC(=O)Nc2ccc(F)cc23)c2ccc(F)cc2)ccc1OC(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.51
PLD2 O14939 3/20 0.39
PLD1 Q13393 3/20 0.39
CCR2 P41597 5/20 0.38
TACR1 P25103 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CCR5 P51681 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
SCHEMBL632370 1.00 TACR3 (0.51) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632134 0.94 TACR3 (0.61) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632135 0.94 TACR3 (0.61) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632867 0.92 TACR3 (0.53) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632866 0.92 TACR3 (0.53) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632932 0.90 TACR3 (0.56) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632931 0.90 TACR3 (0.56) TACR3PLD2PLD1CCR2TACR1
SCHEMBL631238 0.89 TACR3 (0.62) TACR3PLD2PLD1CCR2TACR1
SCHEMBL632868 0.86 TACR3 (0.55) TACR3PLD2PLD1CCR2TACR1
SCHEMBL631107 0.86 TACR3 (0.59) TACR3PLD2PLD1CCR2TACR1

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-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 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-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS ADRB3, KCNK3, KCND3 TACR3 28/4885PLD2 1931/4885PLD1 2445/4885

“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.