SCHEMBL5558029

SCHEMBL5558029

Clc1ccc(CC[C@H]2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
DRD4 P21917 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5558033 1.00 SIGMAR1 (0.61) SIGMAR1DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL5557553 0.93 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL5557549 0.93 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL5557480 0.88 DRD4 (0.60) SIGMAR1DRD4LMNAALDH1A1MEN1
SCHEMBL5557482 0.88 DRD4 (0.60) SIGMAR1DRD4LMNAALDH1A1MEN1
SCHEMBL5563551 0.87 SIGMAR1 (0.58) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL5563546 0.87 SIGMAR1 (0.58) SIGMAR1LMNAALDH1A1POLBMEN1
SCHEMBL5557651 0.86 SIGMAR1 (0.78) SIGMAR1DRD4LMNAMEN1KMT2A
SCHEMBL5557647 0.86 SIGMAR1 (0.78) SIGMAR1DRD4LMNAMEN1KMT2A
SCHEMBL5556913 0.85 SIGMAR1 (0.60) SIGMAR1LMNAALDH1A1POLBMEN1

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 61/4885DRD4 1/4885CYP1A2 1039/4885

“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.