SCHEMBL3063300

SCHEMBL3063300

CCC(C)(C)C(=O)N(Cc1ccc(N(C)CCc2ccccn2)nc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
RIPK1 Q13546 3/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CXCR2 P25025 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AOC3 Q16853 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 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
SCHEMBL3058261 0.92 POLB (0.46) POLBKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3822248 0.84 POLB (0.43) POLBKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL8195085 0.82 CXCR2 (0.47) POLBKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3063698 0.82 POLB (0.42) POLBKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3823489 0.81 KDM4E (0.47) POLBKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL3063271 0.80 RIPK1 (0.49) RIPK1AOC3
SCHEMBL3054777 0.79 POLB (0.43) POLBKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3068377 0.78 CYP3A4 (0.42) POLBRIPK1ALDH1A1CYP3A4AOC3
SCHEMBL3061759 0.77 TRPV1 (0.41) POLBRIPK1SMN1; SMN2CXCR2CYP3A4
SCHEMBL3063736 0.76 KDM4E (0.44) POLBRIPK1KDM4EMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S POLB 4856/4885RIPK1 2974/4885KDM4E 1978/4885

“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.