SCHEMBL631969

SCHEMBL631969

O=C1Nc2ccc(F)cc2C2(CCN(CCCC(C(=O)NCc3ccc(Cl)cc3Cl)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.48
TACR1 P25103 9/20 0.48
PLD2 O14939 2/20 0.39
PLD1 Q13393 2/20 0.39
CCR2 P41597 5/20 0.38
P2RX7 Q99572 2/20 0.38
IP6K1 Q92551 1/20 0.36

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
SCHEMBL631968 1.00 TACR3 (0.48) TACR3TACR1PLD2PLD1CCR2
SCHEMBL630682 0.96 TACR3 (0.52) TACR3TACR1PLD2PLD1CCR2
SCHEMBL630683 0.96 TACR3 (0.52) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631093 0.92 TACR3 (0.52) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631160 0.91 TACR3 (0.46) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631161 0.91 TACR3 (0.46) TACR3TACR1PLD2PLD1CCR2
SCHEMBL632023 0.90 TACR3 (0.49) TACR3TACR1PLD2PLD1CCR2
SCHEMBL8185526 0.89 TACR3 (0.51) TACR3TACR1CCR2IP6K1
SCHEMBL8184785 0.88 TACR3 (0.48) TACR3TACR1PLD2PLD1CCR2
SCHEMBL5002936 0.88 TACR3 (0.49) TACR3TACR1PLD2PLD1CCR2

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 28/4885TACR1 6/4885PLD2 1931/4885

“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.