SCHEMBL6561661

SCHEMBL6561661

N#CCc1ccc2cc(CC#N)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
ENPP2 Q13822 1/20 0.45
MMP3 P08254 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
FFAR1 O14842 1/20 0.37
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TNF P01375 1/20 0.36
MEN1 O00255 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29448325 0.91 KDM4E (0.62) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL348813 0.91 KDM4E (0.62) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL23120221 0.87 KDM4E (0.48) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL1640831 0.87 KDM4E (0.48) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL3518141 0.87 KDM4E (0.48) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL14077416 0.84 KDM4E (0.55) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL1448749 0.84 PTGS1 (0.53) KDM4ETDP1CYP1A2CYP2A6NPC1
Isobutane SCHEMBL11549320 0.84 KDM4E (0.55) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL31292193 0.83 KDM4E (0.48) KDM4ETDP1PTPRCPTPN1ENPP2
SCHEMBL11272789 0.82 CYP1A2 (0.51) KDM4ETDP1PTPRCPTPN1CYP1A2

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-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
US-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods OPRL1, OPRK1, OPRM1 KDM4E 1937/4885TDP1 4269/4885PTPRC 3086/4885
US-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 KDM4E 2686/4885TDP1 2480/4885PTPRC 3291/4885

“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.