SCHEMBL6984299

SCHEMBL6984299

c1ccc(-c2nnc(-c3ccc(N4CCNCC4)cc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
ADRB1 P08588 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 3/20 0.52
ATR Q13535 2/20 0.52
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
LTA4H P09960 1/20 0.51
CETP P11597 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50

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
SCHEMBL27007682 0.94 ADRB1 (0.52) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL19131011 0.84 KDM4E (0.68) SMN1; SMN2NPC1RAB9AMAPTATR
SCHEMBL13218526 0.84 RAB9A (0.61) HTR3EHTR3BADRB1HTR3AHTR3D
Trifluoroacetic Acid SCHEMBL30745999 0.83 P2RY14 (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1359864 0.83 ADRB1 (0.76) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL13218517 0.83 DGAT1 (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL4422799 0.82 ADRB1 (0.51) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL27007913 0.81 CHRNB2 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL27007665 0.79 MAPKAPK2 (0.48) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL27007733 0.79 ADRB1 (0.52) ADRB1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR3E 19/4885HTR3B 11/4885ADRB1 26/4885

“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.