SCHEMBL17348365

SCHEMBL17348365

Cc1ncc2c(c1C)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.37
CD44 P16070 2/20 0.37
HTR6 P50406 1/20 0.36
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2C P28335 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL20594973 0.82 KDM4E (0.30)
Hydrochloric Acid SCHEMBL29840002 0.81
SCHEMBL22332534 0.76 DRD2 (0.33)
SCHEMBL21507880 0.75 HTR2C (0.35) PNMTCD44HTR6HTR2C
SCHEMBL17348367 0.72 NOS3 (0.38) HTR2C
SCHEMBL3800030 0.72 DRD4 (0.37) HTR2C
SCHEMBL15248113 0.72 PNMT (0.38) PNMTCD44MAOBHTR2C
SCHEMBL19684580 0.72 PNMT (0.41) PNMTCD44
SCHEMBL17590022 0.71 PNMT (0.36) PNMTCD44HTR6MAOBPOLB
SCHEMBL21507883 0.71 NOS3 (0.36) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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 (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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA PNMT 1195/4885CD44 4778/4885HTR6 2290/4885

“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.