SCHEMBL5162398

SCHEMBL5162398

Cc1cc(F)ccc1C1CN(C(=O)OC(C)(C)C)CCC1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.45
GPR119 Q8TDV5 4/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CYP3A4 P08684 3/20 0.43
BRD3 Q15059 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.41

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
SCHEMBL5158520 1.00 TACR1 (0.45) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL1969990 0.88 TACR1 (0.47) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL5159214 0.88 TACR1 (0.47) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL5226257 0.88 TACR1 (0.47) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL4408595 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL4153158 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL4407576 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL1971268 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL5005980 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4
SCHEMBL4408589 0.87 TACR1 (0.48) TACR1GPR119HDAC1HDAC2CYP3A4

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-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 2/4885GPR119 522/4885HDAC1 2250/4885

“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.