SCHEMBL759941

SCHEMBL759941

C[Si](C)(C)CCOCn1ncc2cc(I)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NPC1 O15118 1/20 0.34
MAOB P27338 2/20 0.33
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
KMO O15229 1/20 0.32
GLS O94925 1/20 0.31
MAOA P21397 1/20 0.31
F2RL1 P55085 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
SCHEMBL2144622 0.89 HTR2A (0.36) DGAT1HTR2AHTR2CNPC1KMO
SCHEMBL30855572 0.89 HTR2A (0.36) DGAT1HTR2AHTR2CNPC1KMO
SCHEMBL17845128 0.85 NR3C1 (0.40) DGAT1HTR2AHTR2CNPC1F2RL1
SCHEMBL17845097 0.85 NPC1 (0.39) DGAT1NPC1MAOBKMOMAOA
SCHEMBL31038849 0.84 DGAT1 (0.35) DGAT1HTR2AHTR2CNPC1MAOB
SCHEMBL1119861 0.84 DGAT1 (0.47) DGAT1HTR2AHTR2CNPC1MAOB
SCHEMBL30272867 0.84 CHEK1 (0.43) DGAT1HTR2AHTR2CNPC1MAOB
SCHEMBL3514316 0.84 CHEK1 (0.43) DGAT1HTR2AHTR2CNPC1MAOB
SCHEMBL24271178 0.83 QPCT (0.36) DGAT1HTR2AHTR2CNPC1MAOB
SCHEMBL29445620 0.83 QPCT (0.36) DGAT1HTR2AHTR2CNPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
CN-101437519-A Indazole compounds ABBOTT LAB (US) 2009-05-20 CN disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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 (9 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 DGAT1 3132/4885HTR2A 3936/4885HTR2C 4305/4885
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 DGAT1 2790/4885HTR2A 1764/4885HTR2C 1115/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 DGAT1 3618/4885HTR2A 2251/4885HTR2C 1882/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 DGAT1 2137/4885HTR2A 4030/4885HTR2C 3174/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 DGAT1 3618/4885HTR2A 2251/4885HTR2C 1882/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 DGAT1 3618/4885HTR2A 2251/4885HTR2C 1882/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 DGAT1 3673/4885HTR2A 2079/4885HTR2C 1847/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 DGAT1 3132/4885HTR2A 3936/4885HTR2C 4305/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 DGAT1 2137/4885HTR2A 4030/4885HTR2C 3174/4885

“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.