SCHEMBL13780228

SCHEMBL13780228

Cc1csc2nc(N3CCNCC3)nc(NCc3ccc(Cl)cc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.41
HTR2C P28335 3/20 0.41
HRH4 Q9H3N8 5/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.40
DPP4 P27487 1/20 0.39
HRH1 P35367 1/20 0.38
INPPL1 O15357 1/20 0.38
PRKCI P41743 1/20 0.38
KHK P50053 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL13777948 0.81 ESR1 (0.61) CCR4ESR1
SCHEMBL13780224 0.80 CCR4 (0.44) CCR4HRH4HRH1
SCHEMBL13780227 0.80 CCR4 (0.43) CCR4HRH4
SCHEMBL11198016 0.79 PRKCI (0.43) HTR2CESR1HRH1PRKCIKHK
Hydrochloric Acid SCHEMBL11204595 0.78 PRKCI (0.43) HTR2CESR1HRH1PRKCIKHK
SCHEMBL13780258 0.78 HTR2C (0.52) CCR4HTR2CHRH4HRH1PDE4A
SCHEMBL11201871 0.77 PRKCI (0.41) HTR2CESR1PRKCIKHK
SCHEMBL11197538 0.77 PRKCI (0.41) HTR2CHRH4ESR1PRKCIKHK
SCHEMBL11204549 0.76 KHK (0.46) HTR2CHRH4ESR1PRKCIKHK
SCHEMBL11200114 0.76 PRKCI (0.46) HTR2CHRH4HRH1PRKCIKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 CCR4 1/4885HTR2C 564/4885HRH4 3/4885

“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.