SCHEMBL17819282

SCHEMBL17819282

NCCc1c[nH]c2cc(F)ccc12.[H+]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.97
MPO P05164 8/20 0.73
TRPM8 Q7Z2W7 1/20 0.73
HTR1A P08908 2/20 0.71
KMT2A Q03164 2/20 0.71
GPR84 Q9NQS5 1/20 0.67
HTR2C P28335 2/20 0.64
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
CTSK P43235 1/20 0.57
HTR6 P50406 1/20 0.57
CYP2A13 Q16696 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57

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
SCHEMBL30952647 0.98 HTR2A (1.00) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL743153 0.98 HTR2A (1.00) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL28368250 0.98 HTR2A (1.00) HTR2AMPOTRPM8HTR1AKMT2A
Methane SCHEMBL274681 0.97 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL32678247 0.97 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL275030 0.97 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL32678244 0.97 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Cyanide SCHEMBL28691191 0.94 HTR2A (0.91) HTR2AMPOTRPM8HTR1AKMT2A
Oxalic Acid SCHEMBL2539797 0.90 HTR2A (0.83) HTR2AMPOTRPM8HTR1AKMT2A
Fumaric Acid SCHEMBL31240167 0.86 HTR2A (0.76) HTR2AMPOTRPM8HTR1AKMT2A

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 3 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

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 2341/4885TRPM8 3955/4885

“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.