SCHEMBL21098920

SCHEMBL21098920

COc1ccnc(N2CCNC[C@H]2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
HTR2B P41595 4/20 0.44
HTR2A P28223 4/20 0.43
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
NCF1 P14598 1/20 0.42
MAP3K12 Q12852 1/20 0.41
GSK3B P49841 4/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LATS1 O95835 1/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 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
SCHEMBL21098921 1.00 HTR2C (0.44) HTR2CHTR2BHTR2ACCR1CCR5
SCHEMBL24454244 0.82 PIM1 (0.43) HTR2CHTR2BHTR2ACCR1CCR5
SCHEMBL24454076 0.82 PIM1 (0.43) HTR2CHTR2BHTR2ACCR1CCR5
SCHEMBL17884819 0.81 HTR2C (0.47) HTR2CHTR2BHTR2AGSK3BROCK2
SCHEMBL30609652 0.81 HTR2C (0.47) HTR2CHTR2BHTR2AGSK3BROCK2
SCHEMBL19709299 0.77 ADRB1 (0.60) HTR2CHTR2BHTR2A
SCHEMBL2876435 0.77 NCF1 (0.58) CCR1CCR5CCR8NCF1
SCHEMBL21098425 0.77 CYP2C19 (0.47) HTR2CHTR2BHTR2AGSK3BPIM1
SCHEMBL21098430 0.77 CYP2C19 (0.47) HTR2CHTR2BHTR2AGSK3BPIM1
SCHEMBL26669762 0.77 CYP2C19 (0.47) HTR2CHTR2BHTR2AGSK3BPIM1

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
EP-3498715-B1 ANTI-HCMV VIRUS COMPOUND MEDSHINE DISCOVERY INC (CN) 2021-06-09 EP disclosed
US-10851112-B2 Anti-HCMV virus compound MEDSHINE DISCOVERY INC. (CN) 2020-12-01 US disclosed
US-20190202838-A1 ANTI-HCMV VIRUS COMPOUND PHAENO THERAPEUTICS CO., LTD. (CN) 2019-07-04 US disclosed
EP-3498715-A1 ANTI-HCMV VIRUS COMPOUND Medshine Discovery Inc. (CN) 2019-06-19 EP 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-20190202838-A1 ANTI-HCMV VIRUS COMPOUND RPL35, RPL5, RPL17 HTR2C 4587/4885HTR2B 4307/4885HTR2A 4512/4885
US-10851112-B2 Anti-HCMV virus compound RPL35, RPL5, RPL17 HTR2C 4587/4885HTR2B 4307/4885HTR2A 4512/4885

“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.