SCHEMBL10078701

SCHEMBL10078701

Cc1cc(F)ccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
NOTUM Q6P988 1/20 0.43
SLC6A4 P31645 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SSTR4 P31391 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB1 Q9H4B7 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
SCHEMBL6897568 0.91 MRGPRX4 (0.47) MRGPRX4NOTUMSLC6A4ALDH1A1SSTR4
SCHEMBL21653636 0.88 MRGPRX4 (0.49) MRGPRX4NOTUMSLC6A4HTR2CHTR2B
SCHEMBL23677886 0.86 MRGPRX4 (0.51) MRGPRX4NOTUMSLC6A4ALDH1A1SSTR4
SCHEMBL21653635 0.86 MRGPRX4 (0.48) MRGPRX4NOTUMSLC6A4ALDH1A1SSTR4
SCHEMBL20124948 0.85 FFAR1 (0.49) SLC6A4HTR2CHTR2BKCNH2TMEM97
SCHEMBL14409236 0.83 HTR2C (0.49) MRGPRX4NOTUMSLC6A4HTR2CHTR2B
SCHEMBL2226476 0.82 HTR2C (0.44) HTR2CHTR2BKCNH2TMEM97SIGMAR1
SCHEMBL21601443 0.81 ESR1 (0.49) MRGPRX4NOTUMSLC6A4HTR2CHTR2B
SCHEMBL20224817 0.81 MRGPRX4 (0.44) MRGPRX4NOTUMSLC6A4HTR2CHTR2B
SCHEMBL15223509 0.81 ESR1 (0.51) MRGPRX4NOTUMSLC6A4HTR2CHTR2B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 US disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-8901134-B2 Pyrazolo [3,4-D] pyrimidine derivatives useful to treat respiratory disorders NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
WO-2011053821-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2011-05-05 WO disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 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 (10 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 MRGPRX4 568/4885NOTUM 3926/4885SLC6A4 3065/4885
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MRGPRX4 4672/4885NOTUM 59/4885SLC6A4 4185/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 MRGPRX4 568/4885NOTUM 3926/4885SLC6A4 3065/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC MRGPRX4 4724/4885NOTUM 307/4885SLC6A4 4246/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT MRGPRX4 2237/4885NOTUM 2601/4885SLC6A4 2826/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MRGPRX4 568/4885NOTUM 3926/4885SLC6A4 3065/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 MRGPRX4 4718/4885NOTUM 198/4885SLC6A4 3844/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MRGPRX4 568/4885NOTUM 3926/4885SLC6A4 3065/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MRGPRX4 568/4885NOTUM 3926/4885SLC6A4 3065/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 MRGPRX4 4718/4885NOTUM 198/4885SLC6A4 3844/4885

“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.