SCHEMBL14487572

SCHEMBL14487572

COC(=O)Cn1ccc2ccc(OC)nc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.64
MTNR1B P49286 8/20 0.64
CXCR3 P49682 1/20 0.41
ATM Q13315 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL14487895 0.87 MTNR1A (0.61) MTNR1AMTNR1BCXCR3HCRTR1HCRTR2
SCHEMBL7824667 0.77 MTNR1A (0.59) MTNR1AKDM4ESMN1; SMN2
SCHEMBL20939368 0.75 MTNR1A (0.62) MTNR1AMTNR1BCXCR3HCRTR1HCRTR2
SCHEMBL13912932 0.70 KDM4E (0.42) MTNR1AMTNR1BJAK2JAK1JAK3
SCHEMBL29827118 0.69 KMT2A (0.65) ATMKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL5336099 0.69 KMT2A (0.65) ATMKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL9200019 0.69 MTNR1A (0.60) MTNR1AMTNR1BATMKDM4ESMN1; SMN2
SCHEMBL22337647 0.69 MTNR1A (0.50) MTNR1AMTNR1BPOLBTDP1
SCHEMBL16293902 0.69 HDAC6 (0.41) MTNR1AMTNR1BCXCR3JAK2JAK1
SCHEMBL16612773 0.68 MTNR1A (0.53) MTNR1AMTNR1BCXCR3HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CXCR3 66/4885

“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.