SCHEMBL18628987

SCHEMBL18628987

C[C@]1(C(=O)OCc2ccccc2)CCCCC1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
FKBP1A P62942 4/20 0.44
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL10303644 1.00 NR1H2 (0.49) NR1H2NR1H3FKBP1AEPHX1HPGD
SCHEMBL27947480 1.00 NR1H2 (0.49) NR1H2NR1H3FKBP1AEPHX1HPGD
SCHEMBL9970856 0.86 LMNA (0.39) NR1H2NR1H3FKBP1AEPHX1HPGD
SCHEMBL2126895 0.85 HPGD (0.46) EPHX1HPGDNPC1RAB9AALDH1A1
SCHEMBL16407814 0.81 NR1H2 (0.54) NR1H2NR1H3FKBP1AALDH1A1DDB1
SCHEMBL30533758 0.75 FKBP1A (0.50) NR1H2NR1H3FKBP1AALDH1A1
SCHEMBL16407815 0.74 NR1H2 (0.48) NR1H2NR1H3FKBP1AALDH1A1DDB1
SCHEMBL16383126 0.74 EPHX1 (0.53) FKBP1AEPHX1ALDH1A1
SCHEMBL12621202 0.73 ALDH1A1 (0.53) ALDH1A1DDB1CRBN
SCHEMBL22057375 0.73 NR1H2 (0.53) NR1H2NR1H3ALDH1A1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
US-10039762-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
US-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-03-22 US disclosed
US-9808459-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-07 US disclosed
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2017-04-13 US disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 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 (5 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-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 NR1H2 3111/4885NR1H3 3059/4885FKBP1A 2561/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 NR1H2 3111/4885NR1H3 3059/4885FKBP1A 2561/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 NR1H2 3111/4885NR1H3 3059/4885FKBP1A 2561/4885
US-10039762-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 NR1H2 3111/4885NR1H3 3059/4885FKBP1A 2561/4885
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 NR1H2 3111/4885NR1H3 3059/4885FKBP1A 2561/4885

“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.