SCHEMBL6844237

SCHEMBL6844237

OC(CN1CCN(c2ccc(F)cc2)CC1)Cn1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 5/20 0.54
P2RX7 Q99572 1/20 0.47
DRD2 P14416 2/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 1/20 0.46
ABCB1 P08183 4/20 0.46
DRD3 P35462 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6839523 0.87 MAPT (0.57) TSHRKDM4EMAPTDRD2HTR1A
SCHEMBL6844252 0.82 MAPT (0.49) TSHRMAPTDRD2HTR1AHTR7
SCHEMBL6965271 0.77 HTR1A (0.48) TSHRMAPTDRD2HTR1AHTR7
SCHEMBL6846647 0.76 DRD2 (0.53) TSHRMAPTDRD2ABCB1DRD3
SCHEMBL8337307 0.75 MAPT (0.43) TSHRKDM4EMAPTLMNASMN1; SMN2
SCHEMBL16604028 0.75 MAPT (0.71) TSHRKDM4EMAPTLMNASMN1; SMN2
SCHEMBL27481197 0.72 ABCB1 (0.49) TSHRKDM4EMAPTDRD2HTR1A
SCHEMBL13875129 0.70 MEN1 (0.62) TSHRMAPTDRD2HTR1AHTR7
SCHEMBL12781852 0.70 ADRA2A (0.71) TSHRMAPTDRD2HTR1AHTR7
SCHEMBL15314761 0.69 KDM4E (0.58) TSHRKDM4EMAPTP2RX7LMNA

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 TSHR 653/4885KDM4E 1116/4885MAPT 1380/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 TSHR 653/4885KDM4E 1116/4885MAPT 1380/4885

“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.