SCHEMBL10158248

SCHEMBL10158248

Cc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1CCCO2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
MAPK1 P28482 1/20 0.33
HTR2C P28335 9/20 0.33
HTR2A P28223 7/20 0.33
HTR2B P41595 7/20 0.33
HTR1A P08908 6/20 0.33
HTR1D P28221 5/20 0.33
HTR6 P50406 2/20 0.32
HTR4 Q13639 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1B P28222 1/20 0.32
HTR7 P34969 1/20 0.32
JAK2 O60674 2/20 0.30
BTK Q06187 2/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL31394467 0.91 MAPK1 (0.35) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL12533487 0.91 MAPK1 (0.35) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL10157275 0.84 P2RX7 (0.34) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL136915 0.84 P2RX7 (0.34) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL10157280 0.82 P2RX7 (0.33) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL13038046 0.81
SCHEMBL29008843 0.81 P2RX7 (0.36) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL29907038 0.81 P2RX7 (0.36) P2RX7MAPK1HTR2CHTR2AHTR2B
SCHEMBL27405740 0.77 P2RX7 (0.38) P2RX7MAPK1JAK2BTK
SCHEMBL10158244 0.77 P2RX7 (0.35) P2RX7MAPK1JAK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284136-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2019-09-19 US disclosed
US-20190284136-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2019-09-19 US disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
EP-3016714-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2018-09-19 EP disclosed
US-9994509-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2018-06-12 US disclosed
US-9994509-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2018-06-12 US disclosed
US-9994509-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2018-06-12 US disclosed
WO-2018020357-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-02-01 WO disclosed
WO-2018020357-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-02-01 WO disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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 (5 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 P2RX7 4545/4885MAPK1 1394/4885HTR2C 4360/4885
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 P2RX7 1849/4885MAPK1 4243/4885HTR2C 637/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E P2RX7 2690/4885MAPK1 2634/4885HTR2C 4612/4885
US-20190284136-A1 INDOLINE DERIVATIVES IRF3, EIF2AK2, MAVS P2RX7 1965/4885MAPK1 4499/4885HTR2C 150/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E P2RX7 4177/4885MAPK1 1742/4885HTR2C 4584/4885

“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.