SCHEMBL5496811

SCHEMBL5496811

c1c[nH]c(C[N]Cc2ncc[nH]2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.52
ALOX15 P16050 1/20 0.48
HTR1A P08908 1/20 0.44
TERT O14746 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
FDPS P14324 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXAS1 P24557 1/20 0.40

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
SCHEMBL1857383 0.81
SCHEMBL3295265 0.77
SCHEMBL20416699 0.76
SCHEMBL1679282 0.76 TAAR1 (0.64) TAAR1ALOX15HTR1ATERTADRA2A
SCHEMBL285224 0.76 TERT (0.59) TAAR1ALOX15HTR1ATERTADRA2A
SCHEMBL2831574 0.75 ALOX15 (0.48) TAAR1ALOX15HTR1ATERTADRA2A
Hydrochloric Acid SCHEMBL11638897 0.75
SCHEMBL7300422 0.74
SCHEMBL1258256 0.73 TBXAS1 (0.44) TAAR1ALOX15HTR1ATERTFDPS
SCHEMBL275 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 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-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 TAAR1 2684/4885ALOX15 1342/4885HTR1A 2752/4885

“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.