SCHEMBL5162689

SCHEMBL5162689

Cc1ccccc1[C@@H]1CCN(C(=O)CN2CCCCC2)C[C@@H]1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
SLC6A1 P30531 1/20 0.35
RBP4 P02753 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TTR P02766 1/20 0.34
CFTR P13569 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL5156147 0.86 TACR1 (0.51) TACR1
SCHEMBL5156335 0.80 TACR1 (0.46) TACR1POLB
SCHEMBL5160141 0.80 TACR1 (0.44) TACR1
SCHEMBL6484380 0.79 TACR1 (0.43) MEN1KMT2ATACR1
SCHEMBL5159599 0.79 TACR1 (0.51) TACR1
SCHEMBL6491597 0.78 TACR1 (0.46) TACR1
SCHEMBL5161137 0.77 TACR1 (0.40) TACR1WNT3SFRP1SLC6A1KDM4E
SCHEMBL5160593 0.76 GAA (0.49) GAAMEN1KMT2ATACR1RAB9A
SCHEMBL5158626 0.75 TACR1 (0.49) TACR1
SCHEMBL5156785 0.75 TACR1 (0.47) TACR1

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
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 GAA 2059/4885MEN1 786/4885KMT2A 1384/4885

“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.