SCHEMBL7863591

SCHEMBL7863591

Oc1cc(N2CCNCC2)ccc1-c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.64
HTR1A P08908 2/20 0.64
PIM1 P11309 1/20 0.55
PIM3 Q86V86 1/20 0.55
PLD1 Q13393 1/20 0.50
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR5A P47898 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDK2 Q15119 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL7863587 0.80 HTR3E (0.56) HTR7HTR1AHTR3EHTR3BHTR3A
SCHEMBL3380849 0.80 HTR7 (0.54) HTR7HTR1APIM1PIM3PLD1
SCHEMBL21268795 0.79 HTR7 (0.71) HTR7HTR1APIM1PIM3PLD1
SCHEMBL9690192 0.78 HTR7 (0.65) HTR7HTR1APIM1PIM3PLD1
Hydrochloric Acid SCHEMBL26136373 0.77 HTR7 (0.59) HTR7HTR1APIM1PIM3PLD1
SCHEMBL5526744 0.76 HTR7 (1.00) HTR7HTR1APIM1PIM3PLD1
SCHEMBL14060585 0.75 HTR7 (0.70) HTR7HTR1APIM1PIM3PLD1
SCHEMBL15445062 0.74 ADRB2 (0.62) HTR7HTR1APLD1HTR3EHTR3B
SCHEMBL13182828 0.74 ADRB1 (0.56) HTR7HTR1AHTR3EHTR3BHTR3A
SCHEMBL6352796 0.73 HTR7 (0.71) HTR7HTR1APIM1PIM3PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
WO-2010123995-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2010-10-28 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-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 HTR7 145/4885HTR1A 67/4885PIM1 2855/4885

“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.