SCHEMBL7863587

SCHEMBL7863587

Oc1ccccc1-c1ccc(N2CCNCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR5A P47898 1/20 0.56
PDK2 Q15119 1/20 0.55
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52
ADRB1 P08588 5/20 0.52
HTR7 P34969 4/20 0.50
HTR1A P08908 3/20 0.50
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2C P28335 2/20 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
SCHEMBL28469016 0.83 ADRB1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3567532 0.83 HTR7 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13182828 0.80 ADRB1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7863591 0.80 HTR7 (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26685303 0.78 SMARCA2 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31570178 0.78 SMARCA2 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26888980 0.78 SMARCA2 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14983927 0.77 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23630352 0.76 SMARCA2 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1600023 0.76 ADRB1 (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 80/4885HTR3B 23/4885HTR3A 10/4885

“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.