SCHEMBL16884188

SCHEMBL16884188

COc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
SIGMAR1 Q99720 1/20 0.45
P2RX7 Q99572 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
HTT P42858 1/20 0.45
CNR2 P34972 3/20 0.44
TRPV6 Q9H1D0 1/20 0.43
FAAH O00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SCN9A Q15858 1/20 0.42
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CREBBP Q92793 1/20 0.40

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
SCHEMBL16884194 0.89 P2RX7 (0.48) SIGMAR1P2RX7MEN1KMT2AHTT
SCHEMBL15009452 0.86 APLNR (0.56) MEN1KMT2AHTTCNR2TRPV6
SCHEMBL16884335 0.85 CNR2 (0.46) P2RX7MEN1KMT2AHTTCNR2
SCHEMBL15029080 0.85 POLB (0.48) MEN1KMT2AHTTCNR2TRPV6
SCHEMBL16884196 0.84 EPHX2 (0.52) P2RX7MEN1KMT2ACNR2TRPV6
SCHEMBL16884224 0.82 SCN9A (0.45) P2RX7MEN1KMT2AHTTCNR2
SCHEMBL3360312 0.82 MEN1 (0.44) P2RX7MEN1KMT2AHTTCNR2
SCHEMBL15009005 0.82 MEN1 (0.44) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL16884191 0.81 TRPV6 (0.63) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL16884298 0.80 SCN9A (0.49) P2RX7MEN1KMT2AHTTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 KDM1A 3942/4885MAOA 2460/4885MAOB 2702/4885

“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.