SCHEMBL4451927

SCHEMBL4451927

N#Cc1ccc(C(F)(F)F)c(N2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.47
AR P10275 5/20 0.47
KIF11 P52732 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41
CSF1R P07333 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP1 P03956 1/20 0.39
SLC6A9 P48067 1/20 0.38
HSD11B1 P28845 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
SCHEMBL250177 0.88 NOTUM (0.47) NOTUMARTRPV4CSF1RSLC6A9
SCHEMBL3532873 0.86 NOTUM (0.48) NOTUMARTRPV4CSF1RKDM4E
SCHEMBL13175782 0.82 AR (0.51) ARKIF11TRPV4ALDH1A1MEN1
SCHEMBL8418329 0.79 SLC6A9 (0.46) ARCSF1RKDM4EALDH1A1L3MBTL1
SCHEMBL13736409 0.77 SLC6A9 (0.44) ARCSF1RKDM4EALDH1A1L3MBTL1
SCHEMBL15117102 0.76 SLC6A9 (0.57) ARCSF1RALDH1A1MEN1GAA
SCHEMBL16729408 0.76 NOTUM (0.50) NOTUMALDH1A1MEN1GAAKMT2A
SCHEMBL30865737 0.75 NOTUM (0.52) NOTUMKDM4EALDH1A1GAAMAPK1
SCHEMBL20830204 0.74 DRD2 (0.49) TRPV4ALDH1A1HSD11B1
SCHEMBL12684833 0.73 NOTUM (0.51) NOTUMARALDH1A1

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
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists TAJIMI MASAOMI 2009-08-20 US disclosed
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists TAJIMI MASAOMI 2009-08-20 US disclosed
US-7544716-B2 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists XENTION LIMITED (GB) 2009-06-09 US disclosed
US-7544716-B2 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists XENTION LIMITED (GB) 2009-06-09 US disclosed
EP-1572632-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS XENTION LTD (GB) 2008-08-13 EP disclosed
EP-1572632-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS XENTION LTD (GB) 2008-08-13 EP disclosed
US-20060135505-A1 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists BAYER HEALTHCARE AG (DE) 2006-06-22 US disclosed
EP-1572632-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052845-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-06-24 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-20060135505-A1 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists OPRL1, PTGER1, LTB4R2 NOTUM 2667/4885AR 297/4885KIF11 3658/4885
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists OPRL1, TRPV1, LTB4R NOTUM 2396/4885AR 253/4885KIF11 4366/4885

“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.