SCHEMBL17819281

SCHEMBL17819281

Fc1ccc2c(CCNCCc3c[nH]c4cc(F)ccc34)c[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.69
MPO P05164 10/20 0.67
SLC6A4 P31645 3/20 0.67
GPR84 Q9NQS5 1/20 0.67
HTR6 P50406 3/20 0.66
HTR1A P08908 3/20 0.60
DRD2 P14416 1/20 0.59
HTR7 P34969 1/20 0.59

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
SCHEMBL30275112 1.00 HTR2A (0.69) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL11992509 0.87 MPO (0.78) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL1969257 0.86 HTR6 (0.62) HTR2AMPOSLC6A4GPR84HTR6
Hydrochloric Acid SCHEMBL21546035 0.86 MPO (0.76) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL7671849 0.83 HTR2A (0.60) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL4496642 0.81 HTR2A (0.71) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL743153 0.81 HTR2A (1.00) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL31535627 0.81 HTR2A (0.71) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL7710633 0.81 HTR2A (0.71) HTR2AMPOSLC6A4GPR84HTR6
SCHEMBL30952647 0.81 HTR2A (1.00) HTR2AMPOSLC6A4GPR84HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230265-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. Lundbeck A/S (DK) 2017-10-18 EP disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 US disclosed
WO-2016091997-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. LUNDBECK A/S (DK) 2016-06-16 WO disclosed
WO-2016091997-A1 A PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE H. LUNDBECK A/S (DK) 2016-06-16 WO disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 US disclosed
US-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE LUNDBECK A/S (DK) 2016-06-16 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-20160168089-A1 PROCESS FOR THE MANUFACTURE OF IDALOPIRDINE ADRA2C, QDPR, ADRA1D HTR2A 110/4885MPO 2341/4885SLC6A4 80/4885

“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.