SCHEMBL5557553

SCHEMBL5557553

c1ccc(CCC2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5557549 1.00 SIGMAR1 (0.68) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5558029 0.93 SIGMAR1 (0.61) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5558033 0.93 SIGMAR1 (0.61) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5556907 0.92 SIGMAR1 (0.60) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5556913 0.92 SIGMAR1 (0.60) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5557480 0.92 DRD4 (0.60) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5557482 0.92 DRD4 (0.60) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5557651 0.89 SIGMAR1 (0.78) SIGMAR1LMNAMEN1KMT2A
SCHEMBL5557647 0.89 SIGMAR1 (0.78) SIGMAR1LMNAMEN1KMT2A
SCHEMBL4286314 0.88 LMNA (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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 (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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 SIGMAR1 409/4885LMNA 3207/4885POLB 3364/4885
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 SIGMAR1 27/4885LMNA 4399/4885POLB 4011/4885
US-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 SIGMAR1 61/4885LMNA 4557/4885POLB 3288/4885

“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.