SCHEMBL3538231

SCHEMBL3538231

Cc1ccccc1C1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
LMNA P02545 6/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13314838 1.00 MAPT (0.42) MAPTLMNAHTTPOLBGAA
Formic Acid SCHEMBL3542530 0.95 MAPT (0.41) MAPTLMNAHTTPOLBGAA
SCHEMBL13314840 0.86 MAPT (0.44) MAPTLMNAHTTPOLBGAA
SCHEMBL3533584 0.86 MAPT (0.44) MAPTLMNAHTTPOLBGAA
SCHEMBL3536226 0.84 MAPT (0.61) MAPTLMNAHTTPOLBGAA
SCHEMBL13314768 0.84 MAPT (0.61) MAPTLMNAHTTPOLBGAA
Formic Acid SCHEMBL3533007 0.83 MAPT (0.42) MAPTLMNAHTTPOLBGAA
SCHEMBL13314851 0.82 LMNA (0.46) MAPTLMNAHTTPOLBGAA
SCHEMBL3534984 0.82 LMNA (0.46) MAPTLMNAHTTPOLBGAA
SCHEMBL13314850 0.81 MAPT (0.46) MAPTLMNAHTTPOLBGAA

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US claimed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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 (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 MAPT 1891/4885LMNA 2988/4885HTT 851/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885LMNA 866/4885HTT 336/4885

“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.