SCHEMBL17501946

SCHEMBL17501946

O=C1CCCC(CO)N1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
POLB P06746 1/20 0.41
MT-CO2 P00403 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MGLL Q99685 1/20 0.36
PER2 O15055 1/20 0.36
MTNR1A P48039 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL17501944 1.00 GRIN2B (0.42) GRIN2BPOLBMT-CO2ALOX5ALDH1A1
SCHEMBL17501926 0.90 PTGER2 (0.44) POLBP2RX7MKNK1PTGER3PTGER2
SCHEMBL16096237 0.90 PTGER2 (0.44) POLBP2RX7MKNK1PTGER3PTGER2
SCHEMBL25669481 0.84 CCR1 (0.40) KMT2APTGER3PTGER2HDAC1HDAC8
SCHEMBL25685281 0.82 CCR1 (0.43) POLBALDH1A1TSHRKMT2APTGER3
SCHEMBL25669144 0.81 PTGER2 (0.36) GRIN2BPOLBALDH1A1PTGER3PTGER2
SCHEMBL11072388 0.80 POLB (0.42) POLBMT-CO2ALOX5ALDH1A1ALOX15
SCHEMBL22443602 0.75 HCRTR1 (0.52) GRIN2BALDH1A1TSHRP2RX7
SCHEMBL22443601 0.75 HCRTR1 (0.52) GRIN2BALDH1A1TSHRP2RX7
SCHEMBL16422721 0.74 HDAC1 (0.49) ALOX15TSHRP2RX7MKNK1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 CN disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-18 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 (7 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-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB GRIN2B 4772/4885POLB 3494/4885MT-CO2 382/4885

“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.