SCHEMBL774014

SCHEMBL774014

COc1c(O)cccc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
DRD3 P35462 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
DRD1 P21728 2/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
IDO1 P14902 3/20 0.40
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29575241 0.85 TAAR1 (0.57) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL22699664 0.82 TAAR1 (0.39) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL1836066 0.82 CA1 (0.48) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL300777 0.82 CA1 (0.53) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL27856580 0.80 CA1 (0.52) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL774013 0.80 CA1 (0.47) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL796853 0.78 HMGCR (0.47) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL27829507 0.78 DRD3 (0.46) CA1CA2DRD3SIGMAR1DRD1
2-Methoxyresorcinol SCHEMBL69297 0.78 CA2 (0.61) CA1CA2TP53KDM4EALDH1A1
SCHEMBL622628 0.78 CA12 (0.53) CA1CA2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069770-A1 NOVEL HOST-TARGETED PAN-RESPIRATORY ANTIVIRAL SMALL MOLECULE THERAPEUTICS PROSETTA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP CA1 4480/4885CA2 4604/4885DRD3 4009/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP CA1 4551/4885CA2 4370/4885DRD3 3538/4885

“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.