SCHEMBL21098418

SCHEMBL21098418

COc1cncc(N2CCNC[C@H]2C)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.60
CHRNA4 P43681 11/20 0.60
CHRNB4 P30926 8/20 0.60
CHRNA3 P32297 8/20 0.60
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TGFBR1 P36897 1/20 0.42
LATS1 O95835 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL19709294 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL21098421 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL19709299 0.84 ADRB1 (0.60) CHRNB2CHRNA4HTR2CHTR2BTGFBR1
SCHEMBL17884782 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3LATS1
SCHEMBL30609705 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3LATS1
SCHEMBL2005355 0.81 ADRB1 (0.56) HTR2CHTR2BADRB1
SCHEMBL30609634 0.80 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL30609715 0.80 ADAMTS5 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL17884677 0.80 ADAMTS5 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL17884838 0.80 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C

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 CHRNB2 4782/4885CHRNA4 4376/4885CHRNB4 4711/4885
US-10851112-B2 Anti-HCMV virus compound RPL35, RPL5, RPL17 CHRNB2 4782/4885CHRNA4 4376/4885CHRNB4 4711/4885

“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.