SCHEMBL6745951

SCHEMBL6745951

CN1CCN(c2ccc3ccn(-c4ccc(F)cc4)c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR3A P46098 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
KCNH2 Q12809 1/20 0.46
HTR7 P34969 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
RPS6KA3 P51812 1/20 0.42
GAA P10253 2/20 0.41

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
SCHEMBL6741087 0.81 HTR6 (0.48) HTR6HTR1ADRD2HTR3ANPC1
SCHEMBL7594713 0.79 HTR3A (0.57) HTR6HTR1ADRD2HTR3ANPC1
SCHEMBL14852506 0.77 CDC7 (0.50) HTR6HTR1ADRD2HTR3ATP53
SCHEMBL14852133 0.77 ALDH1A1 (0.61) HTR6HTR1ADRD2HTR3ASMN1; SMN2
SCHEMBL1375430 0.76 LMNA (0.73) HTR3ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6742251 0.74 HTR6 (0.52) HTR6HTR1ADRD2HTR3ANPC1
SCHEMBL6742178 0.73 QDPR (0.47) HTR6KCNH2
SCHEMBL20362400 0.72 HTR6 (0.51) HTR6HTR1ADRD2HTR3ANPC1
SCHEMBL5659440 0.72 BIRC5 (0.54) KCNH2
SCHEMBL5097575 0.70 HTR6 (0.49) HTR6HTR1ADRD2HTR3ANPC1

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
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US claimed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP claimed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO claimed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 HTR6 237/4885HTR1A 170/4885DRD2 437/4885

“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.