SCHEMBL5045165

SCHEMBL5045165

c1coc(-c2ccc(N3CCNCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
CHRNA10 Q9GZZ6 1/20 0.60
CHRNA9 Q9UGM1 1/20 0.60
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50
PLD1 Q13393 1/20 0.50
CDC7 O00311 3/20 0.47
PIM1 P11309 3/20 0.47
CDK9 P50750 3/20 0.47
ADRB1 P08588 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ACVR1 Q04771 3/20 0.45
BMPR1B O00238 2/20 0.45
BMPR1A P36894 2/20 0.45
ACVRL1 P37023 2/20 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
Hydrochloric Acid SCHEMBL4433916 0.98 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9ADRB2NCF1
SCHEMBL14654390 0.84 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9LTA4H
SCHEMBL29639915 0.77 KCNH2 (0.43) CHRNA7CHRNA10CHRNA9ADRB2NCF1
SCHEMBL8226116 0.77 KCNH2 (0.43) CHRNA7CHRNA10CHRNA9ADRB2NCF1
SCHEMBL27007682 0.77 ADRB1 (0.52) ADRB2NCF1PLD1ADRB1HTR3E
SCHEMBL15245011 0.75 ADRB1 (0.68) ADRB2NCF1PLD1ADRB1HTR3E
SCHEMBL722557 0.75 LTA4H (0.64) CHRNA7CHRNA10CHRNA9LTA4H
Piperazine SCHEMBL3360835 0.75 HPGDS (0.59) CHRNA7CHRNA10CHRNA9USP9XLTA4H
SCHEMBL29639951 0.74 HTR7 (0.44) ADRB2NCF1HTR3ADYRK1A
SCHEMBL1200127 0.73 PLD1 (0.56) ADRB2NCF1PLD1CDC7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1007524-B1 INDOLE DERIVATIVES AS 5-HT1B AND 5-HT1D AGONISTS PF MEDICAMENT (FR) 2003-11-12 EP disclosed
US-6589953-B2 Treatment of anxiety, depression, aggressiveness, panic attacks, obsessive-compulsive disorders, schizophrenia, suicidal tendency, neurodegenerative disorders such as Alzheimer's disease, Parkinson's disease PIERRE FABRE MEDICAMENT (FR) 2003-07-08 US disclosed
US-20020061891-A1 Indole derivatives as 5-HT1B and 5-HT1D agonists PEREZ MICHEL (FR) 2002-05-23 US disclosed
US-6277853-B1 FOR TREATMENT OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MIGRAINES, ALCOHOLISM PIERRE FABRE MEDICAMENT (FR) 2001-08-21 US disclosed
EP-1007524-A1 INDOLE DERIVATIVES AS 5-HT1B AND 5-HT1D AGONISTS PIERRE FABRE MEDICAMENT (FR) 2000-06-14 EP disclosed
WO-1999010344-A1 INDOLE DERIVATIVES AS 5-HT1B AND 5-HT1D AGONISTS PIERRE FABRE MEDICAMENT (FR) 1999-03-04 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 (1 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-20020061891-A1 Indole derivatives as 5-HT1B and 5-HT1D agonists HTR1B, HTR1A, HTR1D CHRNA7 175/4885CHRNA10 209/4885CHRNA9 179/4885

“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.