SCHEMBL485749

SCHEMBL485749

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.39
SLC9A1 P19634 1/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
TSHR P16473 4/20 0.36
CYP2D6 P10635 3/20 0.36
P2RX7 Q99572 1/20 0.36
FASN P49327 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL484380 0.95 HSD11B1 (0.40) HSD11B1EPHX2SLC9A1TSHRCYP2D6
SCHEMBL484273 0.91 HSD11B1 (0.44) HSD11B1NPC1EPHX2UBE2MDCUN1D1
SCHEMBL2816549 0.89 CYP2D6 (0.39) NPC1TSHRCYP2D6RECQLMAPK1
SCHEMBL486049 0.88 HSD11B1 (0.39) HSD11B1EPHX2TRPM8
SCHEMBL484483 0.87 CACNA1B (0.41) HSD11B1TRPM8ALDH1A1MEN1KMT2A
SCHEMBL485288 0.87 CYP2D6 (0.40) TSHRCYP2D6RECQLMAPK1CYP3A4
SCHEMBL484408 0.87 EPHX2 (0.39) EPHX2TSHRMAPK1CYP3A4CYP1A2
SCHEMBL484397 0.87 CYP2D6 (0.39) TSHRCYP2D6RECQLMAPK1MGLL
SCHEMBL2818607 0.87 NAMPT (0.42) HSD11B1
SCHEMBL484465 0.86 CYP3A4 (0.44) HSD11B1TSHRCYP2D6MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885NPC1 1121/4885EPHX2 905/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885NPC1 1121/4885EPHX2 905/4885

“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.