SCHEMBL126728

SCHEMBL126728

CC1(O)CCCC(F)(F)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17490368 1.00 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL17490364 1.00 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL131715 0.83
SCHEMBL5868545 0.80 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL12344782 0.74
SCHEMBL1470750 0.73 SLC6A4 (0.31) SLC6A4SLC6A3
SCHEMBL4337964 0.72 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL25910376 0.72 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL10089210 0.72 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL17487272 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174877-B1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2022-06-29 EP disclosed
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-9546166-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2017-01-17 US disclosed
US-20160031879-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-02-04 US disclosed
WO-2016019228-A1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 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 (4 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 SLC6A4 2165/4885SLC6A3 2573/4885
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 SLC6A4 108/4885SLC6A3 171/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 SLC6A4 1359/4885SLC6A3 1466/4885
US-20160031879-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 SLC6A4 108/4885SLC6A3 171/4885

“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.