SCHEMBL6984335

SCHEMBL6984335

O=C(CCl)N1CCNCC1c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP7 Q9UHL4 2/20 0.47
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
RNF114 Q9Y508 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
YAP1 P46937 2/20 0.34
TEAD4 Q15561 2/20 0.34

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
SCHEMBL3464583 0.87 DPP4 (0.50) DPP4DPP7YAP1TEAD4
SCHEMBL3338258 0.81 LMNA (0.44) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL27551341 0.75 DPP4 (0.38) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL18284789 0.73 MEN1 (0.52) DPP4DPP7
SCHEMBL7467909 0.72 DPP4 (0.54) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL9235802 0.71 DPP4 (0.42) DPP4DPP7
SCHEMBL7400548 0.71 MAOB (0.39) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL27551343 0.71 DPP4 (0.33) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL3314580 0.71 DPP4 (0.53) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL20528485 0.70 DPP4 (0.46) DPP4DPP7HTR2AHTR2CHTR2B

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 DPP4 2506/4885DPP7 2193/4885HTR2A 7/4885

“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.