SCHEMBL631184

SCHEMBL631184

C[C@H](NC(=O)[C@H](CCN1CCC2(CC1)OC(=O)Nc1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.55
TACR1 P25103 15/20 0.55
PLD2 O14939 3/20 0.46
PLD1 Q13393 3/20 0.46

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
SCHEMBL13992605 1.00 TACR3 (0.55) TACR3TACR1PLD2PLD1
SCHEMBL13992604 1.00 TACR3 (0.55) TACR3TACR1PLD2PLD1
SCHEMBL13992606 1.00 TACR3 (0.55) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5003120 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL631321 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5003124 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5004176 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5003506 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5003507 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1
Hydrochloric Acid SCHEMBL5004173 0.99 TACR3 (0.56) TACR3TACR1PLD2PLD1

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 5 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 claimed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US 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
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.