SCHEMBL5010693

SCHEMBL5010693

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RHOC P08134 5/20 0.61
RHOA P61586 5/20 0.61
MGLL Q99685 2/20 0.56
ABHD6 Q9BV23 1/20 0.56
GPX4 P36969 4/20 0.53
MAOB P27338 1/20 0.50
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1A O00555 1/20 0.48
CACNA1G O43497 1/20 0.48

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
SCHEMBL5010631 0.89 MGLL (0.62) RHOCRHOAMGLLABHD6GPX4
SCHEMBL5014235 0.79 HSP90AA1 (0.64) MGLLABHD6GPX4MAOBCACNA2D1
SCHEMBL5011593 0.78 TSHR (0.64) MGLLGPX4MAOB
SCHEMBL31350963 0.76 MAOB (0.80) GPX4MAOBCACNA2D1CACNA1BCACNB1
SCHEMBL1534252 0.76 RHOA (1.00) RHOCRHOAMGLL
SCHEMBL5009483 0.75 USP2 (0.70) MGLLMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL17276416 0.75 MGLL (0.53) MGLLABHD6GPX4CACNA2D1CACNA1B
SCHEMBL12803227 0.75 RHOC (0.57) RHOCRHOAMGLL
SCHEMBL27405136 0.75 MAOB (0.60) MAOBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6406429 0.75 RHOA (0.54) RHOCRHOAMGLL

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-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 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 (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-20080306087-A1 Therapeutic Agents NLN, BDNF, GAP43 RHOC 3310/4885RHOA 1637/4885MGLL 639/4885

“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.