SCHEMBL1138092

SCHEMBL1138092

COC(=O)C=CCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.54
BCL2 P10415 11/20 0.52
BAK1 Q16611 4/20 0.52
BCL2L1 Q07817 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1138153 0.83 HTR7 (0.50) HTR7BCL2BAK1BCL2L1KDM4E
Hydrochloric Acid SCHEMBL1138333 0.82 HTR7 (0.49) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL1137923 0.81 HTR7 (0.54) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL1138132 0.79 HTR7 (0.47) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL5857768 0.79 SIGMAR1 (0.50) KDM4EALDH1A1
SCHEMBL5857769 0.79 SIGMAR1 (0.50) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1138155 0.78 HTR7 (0.47) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL8744977 0.78 KDM4E (0.57) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL1138558 0.77 HTR7 (0.46) HTR7BCL2BAK1BCL2L1KDM4E
SCHEMBL2193164 0.77 ALDH1A1 (0.61) HTR7BCL2BAK1ALDH1A1

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
EP-1487810-B9 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2011-02-23 EP disclosed
EP-1487810-B1 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2010-02-17 EP disclosed
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US disclosed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 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-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives NPY2R, NPY1R, CBR3 HTR7 776/4885BCL2 1903/4885BAK1 1292/4885

“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.