SCHEMBL5563641

SCHEMBL5563641

c1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCc3cccc4ccccc34)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
TMEM97 Q5BJF2 2/20 0.57
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
SLC18A2 Q05940 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
SCHEMBL5563647 1.00 SIGMAR1 (0.57) SIGMAR1TMEM97LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5557125 0.99 SIGMAR1 (0.56) SIGMAR1TMEM97LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5557116 0.99 SIGMAR1 (0.56) SIGMAR1TMEM97LMNAALDH1A1KMT2A
SCHEMBL5558551 0.84 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5558545 0.84 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5557549 0.83 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5557553 0.83 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5557752 0.82 LMNA (0.56) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5557747 0.82 LMNA (0.56) SIGMAR1LMNAALDH1A1KMT2AMEN1
SCHEMBL5557862 0.81 LMNA (0.64) SIGMAR1LMNAALDH1A1MAPTPOLB

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
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
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-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 SIGMAR1 61/4885TMEM97 933/4885LMNA 4557/4885

“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.