SCHEMBL6843909

SCHEMBL6843909

O=C(C1CCCO1)N1CCN(CC(O)Cn2cnc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGER Q15109 1/20 0.45
FASN P49327 2/20 0.44
PKM P14618 1/20 0.44
PARP1 P09874 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6843913 0.82 AGER (0.48) ALDH1A1HTTTSHRHSD17B10MAPT
SCHEMBL6844243 0.81 KMT2A (0.56) ALDH1A1TSHRKMT2AMAPTGAA
SCHEMBL6844223 0.80 AGER (0.55) KDM4ETSHRHSD17B10MAPTAGER
SCHEMBL6846644 0.77 MAPK1 (0.51) ALDH1A1KDM4EHTTTSHRHSD17B10
SCHEMBL11968835 0.75 FASN (0.56) ALDH1A1KDM4EHTTTSHRHSD17B10
SCHEMBL8336875 0.75 AGER (0.54) ALDH1A1KDM4EHTTTSHRHSD17B10
SCHEMBL6965185 0.74 MAPT (0.52) ALDH1A1TSHRHSD17B10KMT2AMAPT
SCHEMBL6960020 0.73 AGER (0.55) ALDH1A1HTTTSHRHSD17B10MAPT
SCHEMBL1025993 0.73 TSHR (0.54) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL8340692 0.73 AGER (0.60) ALDH1A1HTTTSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP 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
US-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US 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 ALDH1A1 508/4885KDM4E 1116/4885HTT 1366/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 ALDH1A1 508/4885KDM4E 1116/4885HTT 1366/4885

“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.