SCHEMBL18237668

SCHEMBL18237668

CCc1ncnc2c1CCCC2=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19152985 0.77 KDM4E (0.38) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11984543 0.74 POLB (0.35) POLBOPRK1RXFP1LMNAHTT
SCHEMBL883077 0.72 ALDH1A1 (0.42) HRH3HTTKDM4EALDH1A1MAPT
SCHEMBL19131796 0.72 HPGD (0.35) POLBRXFP1LMNAKDM4EALDH1A1
SCHEMBL18237942 0.72 TSHR (0.39) GABRG2GABRB3GABRA5LMNAHTT
SCHEMBL10286507 0.72 GABRG2 (0.36) GABRG2GABRB3GABRA5HRH3LMNA
SCHEMBL12464831 0.69 OPRK1 (0.38) POLBOPRK1RXFP1LMNAHTT
SCHEMBL10286088 0.69 HTR2A (0.35) GABRG2GABRB3GABRA5LMNAKDM4E
SCHEMBL10286541 0.67 HSD17B1 (0.33) RXFP1HRH3LMNAHTTKDM4E
SCHEMBL526812 0.66 SMN1; SMN2 (0.39) RXFP1GABRG2GABRB3GABRA5LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT POLB 3269/4885OPRK1 4295/4885RXFP1 3308/4885

“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.