SCHEMBL3536095

SCHEMBL3536095

N=C(N)Nc1nc2c(s1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
RAB9A P51151 12/20 0.54
NPC1 O15118 11/20 0.54
SMN1; SMN2 Q16637 9/20 0.52
MAPT P10636 7/20 0.52
NFKB1 P19838 5/20 0.52
NFKB2 Q00653 5/20 0.52
RELA Q04206 5/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
CASP3 P42574 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TP53 P04637 7/20 0.49
PKM P14618 4/20 0.49

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
SCHEMBL13314773 0.98 TSHR (0.56) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13314772 0.97 TSHR (0.54) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7955024 0.83 TSHR (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8685426 0.83 RAB9A (0.61) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3535533 0.78 CHKA (0.41) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3537945 0.78 PDK1 (0.47) TSHRRAB9ANPC1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3538938 0.76 CHKA (0.40) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL659214 0.76 TSHR (0.71) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10893635 0.76 APOBEC3A (0.53) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3534305 0.75 TSHR (0.38) TSHRRAB9ANPC1SMN1; SMN2MAPT

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
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 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 (2 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 TSHR 142/4885RAB9A 4051/4885NPC1 3023/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 TSHR 340/4885RAB9A 3671/4885NPC1 1533/4885

“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.