SCHEMBL8203039

SCHEMBL8203039

CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD4 P21917 2/20 1.00
HRH4 Q9H3N8 2/20 1.00
DRD1 P21728 14/20 0.78
PAK1 Q13153 1/20 0.71
PKN1 Q16512 1/20 0.71

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
SCHEMBL3414297 0.88 DRD2 (0.78) DRD2DRD4HRH4DRD1PAK1
SCHEMBL20369209 0.87 DRD2 (0.77) DRD2DRD4HRH4DRD1PAK1
SCHEMBL11925297 0.86 DRD2 (0.75) DRD2DRD4HRH4DRD1
SCHEMBL7409000 0.85 HRH4 (0.74) DRD2DRD4HRH4DRD1PAK1
SCHEMBL11634301 0.84 DRD2 (0.72) DRD2DRD4HRH4DRD1PAK1
SCHEMBL14133031 0.83 DRD2 (0.71) DRD2DRD4HRH4DRD1
SCHEMBL22077139 0.82 DRD2 (0.69) DRD2DRD4HRH4DRD1
SCHEMBL9872948 0.81 DRD1 (1.00) DRD2DRD4DRD1
SCHEMBL25462854 0.79 MAPK1 (0.73) DRD2DRD4HRH4DRD1
Perchlorate SCHEMBL11631964 0.78 DRD2 (0.64) DRD2DRD4HRH4DRD1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655314-B1 MULTI-API LOADING PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2018-02-07 EP disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
WO-2008050341-A2 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2008-05-02 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A DRD2 242/4885DRD4 301/4885HRH4 870/4885
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 DRD2 2057/4885DRD4 1952/4885HRH4 147/4885
US-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 DRD2 3840/4885DRD4 4140/4885HRH4 250/4885

“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.