SCHEMBL4449011

SCHEMBL4449011

NCc1ccc(C(F)(F)F)c(N2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.47
CSF1R P07333 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PRMT6 Q96LA8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
MAP2K7 O14733 1/20 0.36
S100B P04271 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL5017452 0.88 NOTUM (0.47) NOTUMCSF1RALDH1A1PRMT6GAA
SCHEMBL250634 0.88 NOTUM (0.47) NOTUMCSF1RALDH1A1PRMT6GAA
SCHEMBL4556485 0.83 NOTUM (0.46) NOTUMALDH1A1PRMT6KDM4EFFAR4
SCHEMBL22350762 0.83 NOTUM (0.48) NOTUMPOLBLMNAMAPT
SCHEMBL13736051 0.77 ALDH1A1 (0.42) CSF1RALDH1A1PRMT6KDM4EGAA
SCHEMBL25201540 0.76 S1PR1 (0.42) NOTUM
SCHEMBL4023577 0.76 ALDH1A1 (0.50) CSF1RALDH1A1PRMT6GAAHTT
SCHEMBL4029065 0.76 ALDH1A1 (0.50) CSF1RALDH1A1PRMT6GAAHTT
SCHEMBL16729408 0.76 NOTUM (0.50) NOTUMALDH1A1GAAMEN1MAPT
SCHEMBL4027973 0.76 ALDH1A1 (0.50) CSF1RALDH1A1PRMT6GAAHTT

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 11 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-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
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 2667/4885CSF1R 1943/4885ALDH1A1 405/4885
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists OPRL1, TRPV1, LTB4R NOTUM 2396/4885CSF1R 1972/4885ALDH1A1 505/4885

“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.