SCHEMBL2166535

SCHEMBL2166535

c1ccc(CCCN2CCN([C@@H]3CCc4ccccc43)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.58
GRIN2B Q13224 3/20 0.56
GRIN1 Q05586 2/20 0.56

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
SCHEMBL2165834 1.00 SIGMAR1 (0.58) SIGMAR1GRIN2BGRIN1
SCHEMBL2165836 1.00 SIGMAR1 (0.58) SIGMAR1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL1299380 0.99 SIGMAR1 (0.60) SIGMAR1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL1299141 0.99 SIGMAR1 (0.60) SIGMAR1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL1299139 0.99 SIGMAR1 (0.60) SIGMAR1GRIN2BGRIN1
SCHEMBL1299103 0.92 HTR2C (0.59) SIGMAR1GRIN2BGRIN1
SCHEMBL1299524 0.92 HTR2C (0.59) SIGMAR1GRIN2BGRIN1
SCHEMBL1299100 0.92 HTR2C (0.59) SIGMAR1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL1298852 0.91 HTR2C (0.58) SIGMAR1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL1298856 0.91 HTR2C (0.58) SIGMAR1GRIN2BGRIN1

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-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US claimed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 WO 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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885GRIN2B 55/4885GRIN1 78/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885GRIN2B 55/4885GRIN1 78/4885

“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.