SCHEMBL632622

SCHEMBL632622

COc1ccc(CN(C)C(=O)C(CCCN2CCC3(CC2)OC(=O)Nc2ccc(F)cc23)c2ccc(Cl)c(Cl)c2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.58
TACR1 P25103 12/20 0.49
CXCR3 P49682 4/20 0.38
TACR2 P21452 4/20 0.37
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
CCR2 P41597 2/20 0.35

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
SCHEMBL632621 1.00 TACR3 (0.58) TACR3TACR1CXCR3TACR2PLD2
SCHEMBL631511 0.96 TACR3 (0.63) TACR3TACR1CXCR3TACR2PLD2
SCHEMBL631855 0.96 TACR3 (0.63) TACR3TACR1CXCR3TACR2PLD2
SCHEMBL632932 0.93 TACR3 (0.56) TACR3TACR1CXCR3TACR2PLD2
SCHEMBL632931 0.93 TACR3 (0.56) TACR3TACR1CXCR3TACR2PLD2
SCHEMBL631117 0.91 TACR3 (0.67) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631232 0.90 TACR3 (0.71) TACR3TACR1TACR2PLD2PLD1
SCHEMBL8180920 0.90 TACR3 (0.61) TACR3TACR1CXCR3TACR2
SCHEMBL631794 0.90 TACR3 (0.64) TACR3TACR1TACR2PLD2PLD1
SCHEMBL5008937 0.90 TACR3 (0.61) TACR3TACR1TACR2PLD2PLD1

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 6/4885CXCR3 972/4885

“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.