SCHEMBL1969990

SCHEMBL1969990

Cc1cc(F)ccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GPR119 Q8TDV5 4/20 0.43
CYP3A4 P08684 3/20 0.43
BRD3 Q15059 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41
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
SCHEMBL5226257 1.00 TACR1 (0.47) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL5159214 1.00 TACR1 (0.47) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL1968974 0.90 DPP4 (0.47) TACR1HDAC1HDAC2CYP3A4CYP2D6
SCHEMBL22721987 0.90 DPP4 (0.47) TACR1HDAC1HDAC2CYP3A4CYP2D6
SCHEMBL5158520 0.88 TACR1 (0.45) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL5162398 0.88 TACR1 (0.45) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL5005980 0.86 TACR1 (0.48) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL4153158 0.86 TACR1 (0.48) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL1971268 0.86 TACR1 (0.48) TACR1HDAC1HDAC2GPR119CYP3A4
SCHEMBL4408595 0.86 TACR1 (0.48) TACR1HDAC1HDAC2GPR119CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 US disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 US disclosed
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 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 (2 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B TACR1 13/4885HDAC1 1052/4885HDAC2 1094/4885
US-20070244158-A1 Piperdine Compound and Process for Preparing the Same AVPR1B, PRLHR, HRH4 TACR1 12/4885HDAC1 671/4885HDAC2 321/4885

“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.