SCHEMBL6843586

SCHEMBL6843586

O=c1[nH]c2ccccc2n1CCCN1CCN(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 12/20 0.62
▸ HTR1A P08908 4/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ CHRM1 P11229 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ P2RX7 Q99572 3/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MLNR O43193 1/20 0.53
▸ NR1I2 O75469 1/20 0.53

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
SCHEMBL6844231 0.81 HTR7 (0.61) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL6843577 0.81 HTR7 (0.69) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL8121051 0.79 HTR1A (0.88) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL27031071 0.78 HTR7 (0.70) HTR7HTR1AKCNH2LMNAP2RX7
SCHEMBL8121534 0.77 HTR1A (0.88) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL6839185 0.76 HTR7 (0.65) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL6846822 0.76 HTR7 (0.65) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL27246576 0.76 HTR7 (0.78) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL27246583 0.76 HTR7 (0.68) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL8943053 0.76 HTR1A (0.86) HTR7HTR1AADORA3CHRM1SLC6A4

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 8 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 disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 — — US 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-0765320-B1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER (US) 2001-10-10 — — EP disclosed
EP-0765320-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-04-02 — — EP disclosed
WO-1995034555-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1995-12-21 — — 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 HTR7 152/4885HTR1A 85/4885ADORA3 79/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 HTR7 152/4885HTR1A 85/4885ADORA3 79/4885

“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.

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