SCHEMBL6844243

SCHEMBL6844243

O=C(C1COc2ccccc2O1)N1CCN(CC(O)Cn2cnc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GAA P10253 3/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.49
AIMP2 Q13155 2/20 0.48
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6843591 0.83 ADRA1D (0.50) ALDH1A1MAPTLMNA
SCHEMBL6843909 0.81 ALDH1A1 (0.49) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL6844223 0.79 AGER (0.55) TSHRPOLBMAPK1MAPTLMNA
SCHEMBL6846644 0.74 MAPK1 (0.51) ALDH1A1TSHRPOLBMAPK1TDP1
SCHEMBL6965185 0.72 MAPT (0.52) KMT2AALDH1A1TSHRPOLBMAPK1
SCHEMBL7978591 0.72 KMT2A (0.75) KMT2AGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL6960020 0.72 AGER (0.55) GAAALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL8340692 0.72 AGER (0.60) GAAALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL8336875 0.71 AGER (0.54) GAAALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL6844260 0.71 KDM4E (0.60) KMT2AGAAALDH1A1SMN1; SMN2TSHR

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 KMT2A 1418/4885GAA 698/4885ALDH1A1 508/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 KMT2A 1418/4885GAA 698/4885ALDH1A1 508/4885

“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.