SCHEMBL3569291

SCHEMBL3569291

Clc1cccc(-c2c(Cl)cccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
IKBKE Q14164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CNR1 P21554 1/20 0.38
NOTUM Q6P988 3/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHFR P00374 1/20 0.37
IDO1 P14902 4/20 0.37
MAOB P27338 2/20 0.37
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36

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
SCHEMBL4459641 0.85 ALOX5 (0.48) ALOX5IKBKETAAR1CNR1NOTUM
SCHEMBL26191583 0.82 ESR2 (0.41) CNR1ESR2GRIA1CACNG8
SCHEMBL11454164 0.81 MAPK1 (0.44) TSHR
SCHEMBL2844519 0.81 L3MBTL1 (0.44) CNR1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL3570521 0.81 CHRM1 (0.40) ALOX5IKBKETAAR1NOTUMESR2
SCHEMBL29069324 0.80 ALOX5 (0.41) ALOX5IKBKETAAR1NOTUMESR2
SCHEMBL25501416 0.79 CYP1A2 (0.41) CNR1NPC1TP53TSHRNFKB1
SCHEMBL26191585 0.78 ALDH1A1 (0.44) TAAR1ESR2NPC1TSHRRAB9A
SCHEMBL3570882 0.77 IDO1 (0.40) RAB9ASMN1; SMN2IDO1GRIA1CACNG8
SCHEMBL2851007 0.77 RXRA (0.41) TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (3 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 ALOX5 2125/4885IKBKE 1045/4885TAAR1 3157/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP ALOX5 2126/4885IKBKE 2474/4885TAAR1 1262/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 ALOX5 1947/4885IKBKE 1644/4885TAAR1 3736/4885

“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.