SCHEMBL3734568

SCHEMBL3734568

CC(C)(C)OC(=O)NCc1ccc2c(c1)nc(CO)n2CCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
GNRHR P30968 1/20 0.42
STING1 Q86WV6 6/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 3/20 0.38
ITK Q08881 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL7879921 0.92 GNRHR (0.43) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL6245220 0.90 GRM2 (0.47) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL31069435 0.87 GRM2 (0.47) GRM2GNRHRHDAC1HDAC8CYP3A4
SCHEMBL3746499 0.86 HDAC1 (0.41) HDAC1HDAC8ITK
SCHEMBL6242216 0.86 GNRHR (0.43) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL6218923 0.85 CNR2 (0.49) GRM2HDAC1HDAC8
SCHEMBL6493464 0.84 GRM2 (0.42) GRM2GNRHRSTING1HDAC1HDAC8
SCHEMBL31069459 0.83 KDM4E (0.41) GRM2STING1CYP3A4CYP2C19L3MBTL1
SCHEMBL3737024 0.83 GNRHR (0.48) GNRHRSTING1HDAC1HDAC8CYP3A4
SCHEMBL31069437 0.80 CYP3A4 (0.44) GRM2GNRHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204375-B1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) REVIRAL LTD (GB) 2019-02-13 EP disclosed
US-10106539-B2 Spiro-indolines for the treatment and prophylaxis of respiratory syncytial virus infection (RSV) ReViral Limited (GB) 2018-10-23 US disclosed
US-20170305908-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) ReViral Limited (GB) 2017-10-26 US disclosed
EP-3204375-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) Reviral Limited (GB) 2017-08-16 EP disclosed
WO-2016055780-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) RE:VIRAL LTD (GB) 2016-04-14 WO disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 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 (3 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-20170305908-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) NR3C2, SAV1, ACE2 GRM2 1917/4885GNRHR 4740/4885STING1 2967/4885
US-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 GRM2 2069/4885GNRHR 2966/4885STING1 1848/4885
US-10106539-B2 Spiro-indolines for the treatment and prophylaxis of respiratory syncytial virus infection (RSV) SPTBN1, NR3C2, SPNS2 GRM2 1741/4885GNRHR 4777/4885STING1 2872/4885

“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.