SCHEMBL6844247

SCHEMBL6844247

OC(CN1CCN(CCCc2cccc(C(F)(F)F)c2)CC1)Cn1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
DRD5 P21918 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
P2RX7 Q99572 1/20 0.45
AGER Q15109 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD4 P21917 2/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FPR2 P25090 2/20 0.40
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6844250 0.94 SIGMAR1 (0.46) DRD2DRD3DRD5SIGMAR1P2RX7
SCHEMBL6846745 0.83 DRD2 (0.55) DRD2DRD3DRD5SIGMAR1AGER
SCHEMBL6843574 0.80 HTT (0.59) DRD2DRD3P2RX7AGERCYP1A2
SCHEMBL6839346 0.79 P2RX7 (0.56) DRD2DRD3P2RX7AGERCYP1A2
SCHEMBL6844242 0.75 LMNA (0.60) P2RX7AGERCYP1A2CYP3A4CYP2D6
SCHEMBL6843887 0.73 AGER (0.49) AGERCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15748095 0.73 DRD2 (0.75) DRD2DRD3DRD5SIGMAR1DRD4
Hydrochloric Acid SCHEMBL17103181 0.73 DRD2 (0.74) DRD2DRD3DRD5SIGMAR1DRD4
SCHEMBL17103164 0.73 DRD2 (0.74) DRD2DRD3DRD5SIGMAR1DRD4
SCHEMBL8335130 0.73 CETP (0.41) DRD2AGERDRD4MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US claimed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US claimed
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP claimed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US claimed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP claimed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP claimed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO claimed
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US disclosed
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
US-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 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 (2 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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD2 3/4885DRD3 6/4885DRD5 11/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 DRD2 3/4885DRD3 6/4885DRD5 11/4885

“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.