SCHEMBL5752138

SCHEMBL5752138

CCc1n[nH]c(CC)c1I

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
HCAR2 Q8TDS4 3/20 0.35
HCAR3 P49019 1/20 0.35
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 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
SCHEMBL8943452 0.71 KCNH2 (0.37) KCNH2HCAR2HCAR3HSD17B10P2RX7
SCHEMBL17164752 0.71 KCNH2 (0.37) KCNH2HCAR2HCAR3HSD17B10P2RX7
SCHEMBL29102590 0.68
SCHEMBL5898715 0.68 KCNH2 (0.35) KCNH2HCAR2HCAR3
SCHEMBL16657588 0.68 KCNH2 (0.35) KCNH2HCAR2HCAR3
SCHEMBL14074136 0.68 KCNH2 (0.49) KCNH2HCAR2HCAR3P2RX7
Hydrochloric Acid SCHEMBL5616504 0.67 KCNH2 (0.34) KCNH2HCAR2HCAR3
SCHEMBL819286 0.67 KCNH2 (0.34) KCNH2HCAR2HCAR3
SCHEMBL715679 0.67 KCNH2 (0.34) KCNH2HCAR2HCAR3
Bromide SCHEMBL819705 0.67 KCNH2 (0.34) KCNH2HCAR2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US disclosed
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 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 (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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 KCNH2 4572/4885HCAR2 4274/4885HCAR3 3888/4885
US-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 KCNH2 3433/4885HCAR2 4559/4885HCAR3 4025/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 KCNH2 4572/4885HCAR2 4274/4885HCAR3 3888/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 KCNH2 4572/4885HCAR2 4274/4885HCAR3 3888/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 KCNH2 3433/4885HCAR2 4559/4885HCAR3 4025/4885

“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.