SCHEMBL5987986

SCHEMBL5987986

CC(=O)NCCc1ccccc1CCl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.63
MTNR1B P49286 10/20 0.63
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
F13A1 P00488 1/20 0.49
NQO2 P16083 3/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL5988698 0.91 MTNR1A (0.56) MTNR1AMTNR1BL3MBTL1
SCHEMBL1010214 0.84 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL9861860 0.83 SETDB1 (0.51) MTNR1AMTNR1BKMT2AL3MBTL1NQO2
SCHEMBL8229644 0.83 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL5988458 0.83 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8851523 0.81 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1011062 0.81 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1039416 0.81 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL18607400 0.81 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL533866 0.80 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 MTNR1A 2349/4885MTNR1B 2625/4885MEN1 4747/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 MTNR1A 2433/4885MTNR1B 2759/4885MEN1 4758/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA MTNR1A 2634/4885MTNR1B 2534/4885MEN1 4586/4885

“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.