SCHEMBL2126895

SCHEMBL2126895

CC1(C(=O)O)CCCCC1NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
GLA P06280 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL18628987 0.85 NR1H2 (0.49) HPGDRAB9ANPC1EPHX1ALDH1A1
SCHEMBL10303644 0.85 NR1H2 (0.49) HPGDRAB9ANPC1EPHX1ALDH1A1
SCHEMBL27947480 0.85 NR1H2 (0.49) HPGDRAB9ANPC1EPHX1ALDH1A1
SCHEMBL10008547 0.81 HPGD (0.44) HPGDRAB9ANPC1EPHX1TSHR
SCHEMBL9970856 0.81 LMNA (0.39) HPGDRAB9ANPC1EPHX1TSHR
SCHEMBL19857407 0.77 OPRM1 (0.44) HPGDRAB9AEPHX1TSHRALDH1A1
SCHEMBL19857422 0.77 OPRM1 (0.44) HPGDRAB9AEPHX1TSHRALDH1A1
Hydrochloric Acid SCHEMBL5510955 0.76 KDM4E (0.32) EPHX1ALDH1A1LMNA
SCHEMBL1756637 0.76 TRPA1 (0.46) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL3398168 0.75 TRPA1 (0.43) HPGDRAB9ANPC1EPHX1ALDH1A1

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 28 patents — showing the first 20. 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
CN-104940202-B Inhibitors of influenza viruses replication 沃泰克斯药物股份有限公司 2018-10-16 CN 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
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 US disclosed
US-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
EP-2651941-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
EP-2651940-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed
WO-2012083121-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO 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 (9 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 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 HPGD 1918/4885RAB9A 707/4885NPC1 1578/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-10039762-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885
US-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 HPGD 1918/4885RAB9A 707/4885NPC1 1578/4885
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HPGD 1932/4885RAB9A 674/4885NPC1 1589/4885

“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.