SCHEMBL17802182

SCHEMBL17802182

C=C(C)COC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 2/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17802183 1.00 YTHDC1 (0.44) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL19328314 0.86 YTHDC1 (0.47) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL17802181 0.86 YTHDC1 (0.47) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL15740441 0.83 YTHDC1 (0.49) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL8894747 0.83 YTHDC1 (0.49) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL12761893 0.82 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL25486005 0.82 YTHDC1 (0.47) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL26087088 0.82 YTHDC1 (0.47) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
Hydrochloric Acid SCHEMBL8906626 0.82 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
Hydrochloric Acid SCHEMBL17802162 0.82 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
EP-3227275-A1 CD38 INHIBITORS AND METHODS OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-10-11 EP disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 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-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT CD38, NQO1, NADK YTHDC1 4564/4885SLC6A2 2463/4885SLC6A4 4321/4885

“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.