SCHEMBL989780

SCHEMBL989780

C(CCCCCCC1=NCCN1)CCCCCC1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TAAR1 Q96RJ0 3/20 0.48
HTR1D P28221 3/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CXCR4 P61073 3/20 0.43

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
SCHEMBL9575633 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11128132 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL9575191 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11130718 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11131504 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11132599 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
Hydrochloric Acid SCHEMBL2419368 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11132101 1.00 NISCH (0.53) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL9575282 0.97 NISCH (0.55) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL9575185 0.92 NISCH (0.55) NISCHMAOAMAOBTAAR1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012985-B2 parasiticides, in particularly against Plasmodium and babesia; antimalarial agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-09-06 US disclosed
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
US-20050176819-A1 Compounds with antiparasitic activity and medicines containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2005-08-11 US disclosed
EP-1524972-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-04-27 EP disclosed
WO-2004009068-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-01-29 WO disclosed
US-4423204-A HEAT RESISTANCE MOLDING MATERIALS THE UPJOHN COMPANY (US) 1983-12-27 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 (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-20050176819-A1 Compounds with antiparasitic activity and medicines containing same ACHE, MPO, PDF NISCH 275/4885MAOA 126/4885MAOB 162/4885

“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.