SCHEMBL5158630

SCHEMBL5158630

Cc1ccccc1[C@@H]1CCNC[C@@H]1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.51
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5158095 0.83 SSTR1 (0.42) TACR1
SCHEMBL952109 0.83 TACR1 (0.46) TACR1
SCHEMBL14404453 0.83 TACR1 (0.46) TACR1
SCHEMBL12601426 0.83 TACR1 (0.46) TACR1
SCHEMBL952110 0.83 TACR1 (0.46) TACR1
Hydrochloric Acid SCHEMBL956074 0.82 TACR1 (0.46) TACR1MEN1KMT2AGMNNLMNA
Hydrochloric Acid SCHEMBL956073 0.82 TACR1 (0.46) TACR1MEN1KMT2AGMNNLMNA
SCHEMBL5158349 0.79 TACR1 (0.55) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5160578 0.79 TACR1 (0.48) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5156184 0.78 TACR1 (0.46) TACR1TP53CYP1A2CYP3A4CYP2D6

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 TACR1 2/4885TP53 4393/4885CYP1A2 3467/4885

“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.