SCHEMBL3699737

SCHEMBL3699737

CCCCc1nc(C2CCCC2)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
CCR2 P41597 2/20 0.33
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACHE P22303 1/20 0.32
TNK2 Q07912 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL3707823 0.99 APLNR (0.33) APLNRCCR2ADRA1AHRH1HRH3
SCHEMBL3703439 0.99 APLNR (0.34) APLNRCCR2ADRA1AHRH1HRH3
SCHEMBL3708955 0.96 CCR2 (0.35) APLNRCCR2ADRA1AHRH1HRH3
SCHEMBL3706992 0.90 APLNR (0.40) APLNRCCR2ACHESMN1; SMN2NPC1
SCHEMBL3704767 0.85 APLNR (0.37) APLNRCCR2SMN1; SMN2NPC1NFKB1
SCHEMBL3713241 0.84 APLNR (0.38) APLNRCCR2SMN1; SMN2NPC1NFKB1
SCHEMBL3711883 0.83 SCN9A (0.36)
SCHEMBL3704206 0.83 SCN9A (0.36)
SCHEMBL3710733 0.82 SCN9A (0.37)
SCHEMBL3711008 0.82 APLNR (0.35) APLNRCCR2SMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA APLNR 268/4885CCR2 109/4885ADRA1A 399/4885

“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.